data_1wyh_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 1wyh _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.87 137.65 57.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.468 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 4.6 t -91.95 -10.18 40.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.818 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.57 -60.55 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -95.99 -32.31 12.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.29 -14.44 39.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.29 178.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.4 m -101.38 107.55 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG11 ' CD ' ' A' ' 21' ' ' LYS . 29.4 t -73.89 116.12 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.9 mmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' CE ' ' OE2' ' A' ' 23' ' ' GLU . 15.1 pttm -136.79 175.48 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -135.28 152.53 51.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' OE2' ' CE ' ' A' ' 21' ' ' LYS . 32.7 mt-10 -151.95 115.81 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -134.45 141.83 46.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.92 10.01 6.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.89 -35.19 4.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.565 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.2 mm100 -67.83 176.88 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.5 m -144.92 127.34 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.2 m-90 -125.76 150.27 47.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -73.21 146.05 45.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.93 -14.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.1 -14.94 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.75 -39.78 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -65.73 96.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 mt -117.54 178.94 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.4 t -91.72 143.16 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -84.11 22.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.6 -52.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.5 -4.25 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 61.62 38.64 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -98.5 145.81 30.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 93.14 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 48' ' ' PHE . 41.8 mt -72.99 2.74 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.76 -6.83 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 t -131.56 -34.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.878 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 3.2 ptp180 -94.06 154.25 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -68.6 164.15 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CB ' HD11 ' A' ' 43' ' ' LEU . 27.4 p90 -166.59 -177.2 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 61' ' ' TYR . 4.2 t -132.09 113.65 14.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 106.15 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' GLY . 23.9 t0 -106.99 -174.91 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -43.35 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 43.22 27.77 0.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.02 128.53 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -99.51 108.59 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.1 m-85 -116.38 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.571 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.06 173.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.14 -54.64 5.61 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -52.56 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.4 m -53.8 -19.4 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.581 ' CE1' HG11 ' A' ' 49' ' ' VAL . 70.6 t80 -93.81 -51.33 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.62 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -83.37 -44.7 14.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.8 ptmt -69.4 -30.48 68.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 27.7 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.482 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.1 t -63.69 141.32 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 11.5 t -95.3 -12.75 25.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.46 -59.62 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -96.63 -30.68 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.31 -15.39 42.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.5 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -107.12 108.72 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' CD2' ' A' ' 30' ' ' HIS . 58.8 t -79.23 113.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.841 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' CD ' HG13 ' A' ' 15' ' ' VAL . 36.3 pttt -160.67 175.67 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.7 mt -132.07 151.24 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -147.51 115.94 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 13.4 m-85 -134.14 123.32 24.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.51 -97.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.41 7.95 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.57 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.1 mm-40 -115.9 178.52 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 55.5 m -145.0 132.13 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.7 m-90 -126.28 150.63 48.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CD2' HG22 ' A' ' 15' ' ' VAL . 25.8 m80 -75.52 147.36 39.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.99 -13.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -110.37 -13.64 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -93.49 -38.95 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 35.0 t80 -68.75 99.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.62 179.26 4.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.9 t -91.21 144.65 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -85.67 23.49 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.93 -48.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.08 -5.15 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 62.78 37.94 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -98.92 145.52 30.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.548 0.689 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 94.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 48' ' ' PHE . 40.8 mt -74.47 4.05 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.48 -4.86 14.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 p -123.86 -42.46 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -94.33 167.35 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 m -79.34 168.45 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CG ' HD11 ' A' ' 43' ' ' LEU . 40.0 p90 -165.56 -176.97 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.579 HG11 ' CE1' ' A' ' 61' ' ' TYR . 3.9 t -130.41 114.42 17.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.728 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 109.35 2.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -111.64 -178.43 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -40.34 99.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.86 29.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.553 ' HB3' ' CE2' ' A' ' 56' ' ' TYR . . . -143.11 127.23 17.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -99.29 109.03 21.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 54' ' ' ALA . 78.4 m-85 -113.25 132.17 55.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.579 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.64 170.46 2.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.11 -54.67 3.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.69 -52.99 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.502 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.66 -18.92 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE1' HG11 ' A' ' 49' ' ' VAL . 66.2 t80 -94.16 -54.16 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -62.96 -25.13 68.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -73.44 -49.66 25.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.55 -40.56 93.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 27.3 t -64.84 139.61 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.477 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.9 t -94.33 -8.23 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.24 -55.86 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -98.01 -33.85 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.11 9.24 45.61 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.98 -175.27 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.6 m -101.84 104.21 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.518 HG21 ' CE1' ' A' ' 30' ' ' HIS . 42.8 t -75.43 106.22 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.7 mmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.85 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CD ' HG13 ' A' ' 15' ' ' VAL . 59.7 pttt -139.53 179.81 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -140.21 151.11 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -134.54 133.31 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.42 25.02 64.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.08 -33.85 5.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.585 ' CB ' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -68.62 171.97 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 87.0 m -144.54 126.86 15.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.585 ' CH2' ' CB ' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.05 149.07 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.518 ' CE1' HG21 ' A' ' 15' ' ' VAL . 27.3 m80 -71.93 145.87 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -52.39 -13.93 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -110.38 -14.29 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.2 m -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.5 t80 -66.36 97.58 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -121.71 179.6 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 30.4 t -91.26 148.7 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.524 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -89.66 23.04 2.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.15 -48.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -115.3 -3.67 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 61.84 35.75 16.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -91.92 143.71 28.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 91.49 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.487 HD13 ' CG ' ' A' ' 48' ' ' PHE . 19.5 mt -74.41 4.33 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -42.26 -47.67 5.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 p -124.63 33.7 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 110.923 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -128.87 164.23 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 m -84.26 132.63 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CG ' HD13 ' A' ' 43' ' ' LEU . 28.8 p90 -150.91 -177.25 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 61' ' ' TYR . 4.4 t -133.45 114.72 13.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 103.57 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -103.26 -174.77 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.74 98.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.67 27.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.37 128.36 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.428 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 24.3 m170 -100.7 108.62 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.2 m-85 -114.72 131.13 56.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.565 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.68 166.0 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.567 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.54 -55.53 0.69 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.77 -53.61 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.2 m -53.97 -19.07 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.64 ' CE1' ' CE1' ' A' ' 65' ' ' PHE . 72.8 t80 -93.82 -53.85 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.37 -19.81 64.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.31 -44.14 20.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -30.98 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.64 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' N ' HG22 ' A' ' 15' ' ' VAL . 24.4 t -66.75 139.63 57.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.486 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.9 t -93.39 -13.47 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.02 -60.87 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -94.65 -32.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.58 -14.08 38.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.25 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.7 m -107.39 99.6 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 30' ' ' HIS . 23.2 t -64.42 116.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.578 0.704 . . . . 0.0 110.872 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.897 0.38 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -143.4 179.58 7.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.712 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.98 152.07 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.968 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.89 116.16 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 12.9 m-85 -133.78 122.36 23.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -99.64 1.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.53 16.77 3.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.3 mm-40 -125.25 177.9 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.1 m -145.02 131.93 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.4 m-90 -126.25 150.56 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' HG21 ' A' ' 15' ' ' VAL . 21.7 m80 -73.99 147.69 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -53.02 -14.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -110.23 -14.96 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.39 -37.57 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.712 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 27.6 t80 -68.01 99.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt -122.36 177.79 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.4 t -88.1 149.45 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -90.54 23.05 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.9 p -112.1 -5.26 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.9 37.07 9.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -93.72 143.39 26.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 93.85 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLY . 20.2 mt -77.5 4.49 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . -36.97 -42.32 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -121.32 -30.13 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.347 . . . . 0.0 110.809 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -64.14 159.81 19.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 m -81.65 145.67 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' HZ ' ' CE1' ' A' ' 24' ' ' TYR . 29.4 p90 -156.56 -177.26 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.569 HG11 ' CE1' ' A' ' 61' ' ' TYR . 4.6 t -133.64 116.1 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.695 0.76 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 101.33 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -101.61 -174.72 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 97.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.17 28.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.98 132.55 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -102.42 108.29 19.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.519 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.8 m-85 -115.64 132.15 56.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.568 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.89 168.59 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.574 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -36.37 -55.2 1.46 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.654 0.74 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.78 -53.46 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.491 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.4 m -53.93 -19.53 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CE1' HG11 ' A' ' 49' ' ' VAL . 71.6 t80 -94.08 -51.43 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.41 -18.4 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.24 -46.63 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -67.71 -29.28 68.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.449 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 51.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 t -63.28 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 14.6 t -92.27 -10.33 38.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.84 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.82 -31.69 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.42 -13.41 47.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -54.22 177.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 m -101.56 98.18 8.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.5 t -59.42 110.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.2 mmm . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HB3' ' CD ' ' A' ' 31' ' ' GLU . 35.0 mmt-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -140.63 177.33 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.688 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -139.46 151.46 46.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -151.49 115.58 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -134.68 141.91 46.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 9.02 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -34.25 5.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.581 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.0 mm-40 -68.58 177.84 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.0 m -144.91 127.96 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.5 m-90 -125.98 150.55 47.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -73.84 145.23 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.407 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 5.6 tt0 -51.36 -14.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -110.23 -15.1 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.18 -37.1 13.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.688 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.5 t80 -66.25 98.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 mt -119.06 177.83 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 23.1 t -89.63 146.14 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.507 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -86.45 22.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.51 -53.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -110.1 -2.74 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 60.66 38.1 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -97.44 146.77 31.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.49 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 48' ' ' PHE . 34.9 mt -78.22 5.15 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.0 -10.57 27.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -127.05 -38.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -89.63 151.21 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -64.41 166.97 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CB ' HD13 ' A' ' 43' ' ' LEU . 41.7 p90 -167.14 -176.96 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.543 ' HB ' ' CG ' ' A' ' 61' ' ' TYR . 2.6 t -139.29 114.0 8.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.36 47.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -159.86 116.86 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttm 47.38 43.74 15.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -20.31 5.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -82.53 126.2 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -97.37 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 71.4 m-85 -112.79 130.18 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.573 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.69 166.93 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.575 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.73 -55.26 0.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -53.37 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.3 m -53.75 -18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.543 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 74.8 t80 -94.01 -54.14 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -61.9 -25.92 67.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -76.39 -49.06 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -62.24 -35.42 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.5 t -64.69 136.53 57.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.6 t -91.16 -8.83 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.01 -60.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -95.05 -32.02 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.31 -14.24 39.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -53.09 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -105.16 99.22 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.6 t -61.35 99.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.892 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -144.53 178.27 8.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -138.61 151.6 47.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -150.58 115.5 5.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -134.98 141.96 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.73 8.47 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.07 -33.97 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.6 mm-40 -70.0 178.5 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.2 m -144.7 128.63 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.7 m-90 -125.79 149.23 48.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -72.53 144.89 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.2 -15.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -109.06 -16.95 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 m -89.16 -37.48 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.695 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 20.2 t80 -66.84 98.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.4 mt -119.9 178.75 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 t -91.5 145.86 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.497 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.05 23.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -50.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -113.2 -3.7 13.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 60.97 39.39 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -99.88 146.2 31.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 96.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.73 2.286 . . . . 0.0 112.348 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 HD13 ' CB ' ' A' ' 48' ' ' PHE . 29.0 mt -77.94 3.97 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.5 -8.98 7.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -128.62 -38.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 8.0 ptp85 -90.4 151.4 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -65.22 167.24 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' CB ' HD13 ' A' ' 43' ' ' LEU . 40.2 p90 -167.29 -177.11 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG13 ' CE1' ' A' ' 61' ' ' TYR . 2.5 t -140.03 112.65 7.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.38 53.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -161.09 118.89 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 48.43 44.25 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.61 -18.79 6.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -83.61 138.66 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -108.46 108.32 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 70.8 m-85 -112.8 129.69 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.571 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.52 166.73 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.57 -55.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.77 -52.83 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.4 m -54.23 -18.37 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE1' HG13 ' A' ' 49' ' ' VAL . 68.1 t80 -94.22 -51.5 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -64.16 -25.87 68.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -72.65 -50.12 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -64.03 -42.12 97.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 t -60.29 142.29 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.478 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 37.3 t -94.63 -14.27 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.21 -61.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.93 -33.79 13.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.47 -13.57 39.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.75 176.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.3 m -98.08 100.07 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG13 ' CD ' ' A' ' 21' ' ' LYS . 39.1 t -67.44 114.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 mmm . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.868 0.366 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' CD ' HG13 ' A' ' 15' ' ' VAL . 37.3 pttt -149.13 -178.53 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.702 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.3 mt -138.19 155.17 48.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -151.54 115.73 5.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -134.16 122.25 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.76 -100.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.83 16.79 4.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.471 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.584 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 15.8 mm-40 -123.55 176.21 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 m -144.54 130.07 18.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.7 m-90 -126.16 150.62 48.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 19.5 m80 -75.17 146.78 40.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -53.28 -14.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 28.0 p-80 -110.85 -12.36 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.59 -40.17 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.702 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 33.5 t80 -66.18 93.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.64 177.57 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.8 t -88.75 145.44 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.5 m -86.3 24.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.38 -50.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.8 p -115.67 -1.83 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 61.85 35.82 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.39 145.57 31.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 95.14 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.295 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 22.3 mt -81.87 12.9 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -68.29 -9.06 56.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 m -130.74 -38.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 15.7 ptm180 -85.76 163.56 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -77.0 168.36 20.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' C ' HG22 ' A' ' 49' ' ' VAL . 44.9 p90 -167.52 -176.87 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.578 HG12 ' CE1' ' A' ' 61' ' ' TYR . 2.5 t -139.34 112.6 7.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.71 48.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -161.35 120.16 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mttm 46.46 42.75 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.18 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.3 124.3 29.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.326 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -96.27 108.21 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -111.43 132.77 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.571 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.41 172.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.36 -54.55 6.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 -53.05 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.1 m -53.59 -17.97 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.593 ' CE1' ' CE1' ' A' ' 65' ' ' PHE . 88.6 t80 -94.73 -52.2 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.16 -22.84 67.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.429 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -80.06 -47.34 15.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -64.25 -30.24 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 21.4 t -63.18 145.5 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.489 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 36.0 t -95.21 -14.53 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.0 -63.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.62 -32.34 16.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.11 53.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.72 175.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -99.66 102.45 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 t -69.96 122.17 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.348 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' CE ' ' OE2' ' A' ' 23' ' ' GLU . 16.5 pttm -152.86 171.97 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -126.83 149.97 49.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.443 ' OE2' ' CE ' ' A' ' 21' ' ' LYS . 15.9 mt-10 -150.49 115.64 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 16.9 m-85 -134.84 138.46 44.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.1 6.57 7.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.1 -37.34 3.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.2 mt-30 -67.2 176.29 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.1 m -144.99 128.18 16.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.2 m-90 -126.32 144.38 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 22.9 m80 -66.67 146.0 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.1 -13.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.74 -12.17 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 m -96.11 -37.02 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.9 t80 -65.57 97.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -119.61 177.04 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.7 t -87.89 144.82 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -86.43 24.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.88 -50.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.03 -3.55 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 63.27 36.92 11.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -93.39 145.47 30.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 96.15 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.304 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 HD12 ' CB ' ' A' ' 48' ' ' PHE . 20.3 mt -82.47 6.16 18.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.9 -39.22 6.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.9 p -117.72 -29.62 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -72.71 162.29 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.05 160.89 25.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.485 ' CB ' HD12 ' A' ' 43' ' ' LEU . 39.3 p90 -167.34 -177.35 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.542 ' HB ' ' CG ' ' A' ' 61' ' ' TYR . 3.4 t -141.51 117.71 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 135.29 30.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -155.38 116.65 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 47.42 42.35 14.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.04 -20.31 5.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -82.1 125.03 30.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -95.87 107.86 20.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 76.6 m-85 -111.81 131.77 55.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.576 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.79 164.15 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.576 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.1 -54.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.576 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.79 -53.92 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 8.2 m -53.3 -18.29 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.542 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 73.8 t80 -94.11 -53.66 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.1 -24.93 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.42 -49.78 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -62.48 -38.15 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 31.9 t -63.48 143.78 57.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.8 t -95.38 -13.7 24.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.87 -61.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -92.98 -33.33 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.52 -9.87 45.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.63 -179.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.2 m -101.83 101.24 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.38 110.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 mtp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.503 0.668 . . . . 0.0 110.902 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -141.1 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -136.22 150.35 48.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -148.52 114.7 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -135.68 140.88 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.03 6.97 7.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.06 -34.32 5.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.484 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.2 mt-30 -71.37 179.82 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.3 m -144.79 130.01 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.485 ' NE1' ' HB3' ' A' ' 9' ' ' SER . 28.9 m-90 -126.43 145.9 50.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 23.9 m80 -69.05 144.24 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -50.56 -15.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.69 -16.71 14.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 m -89.68 -38.53 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 25.1 t80 -67.04 97.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 mt -119.0 176.15 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.3 t -88.01 147.34 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -88.44 23.4 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -50.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 p -112.66 -4.91 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 62.37 38.84 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -99.33 147.99 34.05 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.66 0.743 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 97.01 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 48' ' ' PHE . 30.8 mt -79.45 1.64 24.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.91 -9.14 9.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -126.03 -40.0 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 9.4 ptp180 -90.02 155.42 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.6 168.06 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.485 ' CB ' HD13 ' A' ' 43' ' ' LEU . 39.5 p90 -167.54 -177.38 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 61' ' ' TYR . 2.9 t -137.52 113.62 9.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 140.38 42.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.36 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -158.82 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt 48.31 43.35 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.94 -18.56 5.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.47 138.01 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -107.05 108.51 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 71.8 m-85 -113.39 130.12 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.97 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.575 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.94 165.06 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -33.9 -54.91 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.71 -52.47 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.51 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 6.9 m -54.28 -18.58 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CE1' HG12 ' A' ' 49' ' ' VAL . 69.1 t80 -94.22 -52.01 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -72.98 -46.71 50.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -66.94 -36.98 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 37.6 t -65.75 135.24 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.484 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.9 t -90.73 -9.3 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.86 -58.52 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.44 -31.83 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.37 -15.34 35.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.81 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.8 m -106.98 103.32 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.84 106.25 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.844 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 8.1 mmp_? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -139.88 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -137.95 149.7 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -149.25 115.46 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -134.71 140.85 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.77 7.23 7.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.07 -33.87 5.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.581 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.3 mm100 -67.67 178.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.8 m -145.05 126.2 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.13 148.82 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 29.4 m80 -74.28 146.71 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.82 -13.61 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -110.51 -13.37 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.8 m -94.44 -40.89 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 31.4 t80 -64.46 95.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -117.15 176.89 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.9 t -89.23 143.8 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 75.0 m -84.81 24.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.27 -50.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.6 p -114.75 -3.06 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 62.15 36.44 15.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -93.25 144.19 27.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 92.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.737 2.291 . . . . 0.0 112.363 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.534 ' CD2' ' NH2' ' A' ' 46' ' ' ARG . 22.6 mt -76.86 7.77 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.435 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -39.48 -59.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 p -116.71 29.39 7.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH2' ' CD2' ' A' ' 43' ' ' LEU . 11.2 mtm105 -118.68 166.14 13.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 m -86.55 134.1 33.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -151.15 -177.11 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG13 ' CE1' ' A' ' 61' ' ' TYR . 5.2 t -133.52 115.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 103.08 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -104.31 -176.25 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -43.9 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.37 28.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.547 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -142.68 130.76 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -102.78 108.26 19.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 83.6 m-85 -114.57 132.56 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.566 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.54 171.17 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -39.86 -54.66 4.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.513 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.28 -18.98 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.582 ' CE1' HG13 ' A' ' 49' ' ' VAL . 73.4 t80 -93.86 -54.99 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.71 -25.08 66.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -79.48 -45.96 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -63.06 -36.95 85.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 28' ' ' THR . 17.4 t -65.26 140.26 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.461 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.3 t -93.18 -13.03 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.8 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.74 -33.38 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -13.34 41.7 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.96 176.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 m -99.7 101.3 12.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 HG11 ' CD ' ' A' ' 21' ' ' LYS . 92.2 t -67.25 114.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 mmm . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' CD ' HG11 ' A' ' 15' ' ' VAL . 42.8 pttt -144.95 179.8 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.717 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -140.54 151.83 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -150.96 115.16 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -134.08 134.96 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.19 -47.42 1.65 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.07 -20.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 mt-30 -86.51 -176.31 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 97.3 m -144.65 128.18 17.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 25.1 m-90 -125.73 142.5 51.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -63.01 144.09 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.76 -13.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -111.05 -14.17 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.7 m -93.07 -36.42 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.717 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 30.3 t80 -65.14 96.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.35 175.8 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.7 t -88.07 142.37 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.0 m -83.34 23.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -50.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.1 p -114.99 -2.84 12.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 62.11 36.84 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -92.65 143.55 27.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 90.63 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.644 2.23 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.457 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.8 mt -75.55 6.89 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.66 -55.99 2.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.0 p -120.86 32.73 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -121.22 167.99 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 m -87.54 133.29 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.457 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.5 p90 -151.08 -176.78 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG12 ' CE1' ' A' ' 61' ' ' TYR . 4.3 t -133.63 115.1 13.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.01 -174.68 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -44.99 99.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.11 28.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -142.11 130.26 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.097 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -102.83 108.79 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 81.5 m-85 -115.02 132.81 56.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.563 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.02 172.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -40.98 -54.78 5.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.661 0.743 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -53.52 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 15.8 m -53.5 -18.98 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE1' HG12 ' A' ' 49' ' ' VAL . 68.0 t80 -93.98 -53.13 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -64.43 -23.02 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -82.05 -49.03 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.2 ptmt -61.47 -31.23 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 43.0 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 35.2 t -68.06 132.61 47.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 12.8 t -91.08 -3.47 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.27 -49.31 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -105.83 -30.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.01 49.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.76 -177.32 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 m -104.3 101.54 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 HG22 ' CE1' ' A' ' 30' ' ' HIS . 24.4 t -75.44 119.58 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.5 mmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -150.76 176.29 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.52 151.59 51.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -149.49 115.14 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -135.4 128.57 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.71 23.1 70.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.12 -34.48 5.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.587 ' CB ' ' CH2' ' A' ' 29' ' ' TRP . 16.4 mt-30 -67.19 173.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.3 m -145.03 125.95 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' CB ' ' A' ' 27' ' ' GLN . 28.1 m-90 -125.71 149.67 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 26.5 m80 -73.47 145.74 45.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.9 -15.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -109.17 -15.92 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 m -90.31 -41.59 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -65.37 95.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 mt -118.61 176.84 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.0 t -88.3 146.29 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 m -88.11 24.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -49.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.5 p -115.16 -4.18 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.64 36.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -92.6 145.32 30.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 93.81 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.488 HD13 ' CB ' ' A' ' 48' ' ' PHE . 24.7 mt -78.12 6.68 7.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -35.87 -57.57 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.4 p -123.93 39.62 3.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -126.75 165.8 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 p -80.88 136.07 36.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.488 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.2 p90 -155.1 -177.63 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 ' CE1' ' A' ' 61' ' ' TYR . 3.2 t -143.26 114.35 5.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 137.8 36.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -155.11 115.97 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 47.3 44.9 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.17 -20.82 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.33 124.12 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -97.92 108.08 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -111.67 130.91 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.584 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -63.07 163.68 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.36 -54.66 0.69 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.72 -53.02 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m -53.33 -18.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 88.2 t80 -94.04 -56.95 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.14 -18.68 61.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -84.61 -45.36 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -66.98 -28.13 68.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.3 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 28' ' ' THR . 40.6 t -72.67 134.51 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.476 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 5.9 t -91.3 -9.25 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.38 -57.8 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.15 -27.99 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.74 -14.79 56.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.11 177.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -105.26 98.94 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.35 107.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.87 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -143.78 177.32 8.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.711 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -138.27 154.96 49.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -153.55 115.25 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.5 m-85 -134.39 133.61 40.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 -49.56 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.23 -21.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.566 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 12.0 mm100 -86.08 -176.99 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 91.1 m -144.82 128.9 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.3 m-90 -125.85 141.13 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -61.86 143.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -13.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -109.86 -14.72 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 m -93.03 -38.02 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.711 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -63.08 97.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 mt -118.48 176.8 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 t -88.07 145.41 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -87.3 24.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.43 -48.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.93 -5.35 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 63.18 37.41 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -97.05 148.36 34.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.388 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 48' ' ' PHE . 29.7 mt -81.95 5.1 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.79 -6.82 13.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -130.49 -34.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 13.7 ptp180 -94.04 151.23 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 m -65.14 169.27 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.468 ' CB ' HD11 ' A' ' 43' ' ' LEU . 44.6 p90 -167.82 -176.88 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.591 HG12 ' CE1' ' A' ' 61' ' ' TYR . 2.7 t -139.07 113.14 8.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.73 45.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.285 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -160.91 120.94 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 46.24 42.29 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.99 -21.44 4.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 56' ' ' TYR . . . -82.17 125.17 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -96.49 108.02 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 54' ' ' ALA . 79.6 m-85 -111.0 132.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.954 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.57 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.48 172.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.588 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -41.3 -54.39 6.08 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.64 0.734 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.71 -52.59 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.513 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.6 m -53.58 -18.97 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.622 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 78.6 t80 -93.68 -56.93 2.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.04 -24.11 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -78.41 -50.01 12.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -62.85 -27.67 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.9 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 34.7 t -66.38 135.99 55.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.554 ' HG ' ' NE2' ' A' ' 27' ' ' GLN . 16.1 t -90.29 -8.86 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.11 -61.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.62 -31.87 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.63 -13.92 42.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.31 179.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.6 m -104.42 105.81 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.1 t -74.24 111.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -143.67 177.01 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -136.77 149.23 47.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -149.86 115.66 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -135.17 136.9 42.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.44 15.14 44.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.54 -34.13 5.95 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.567 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mm-40 -68.17 174.28 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -143.91 126.24 15.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.6 m-90 -125.53 148.34 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 28.3 m80 -72.73 146.33 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.8 -13.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -109.97 -13.91 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.9 -41.63 9.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -63.56 98.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 mt -120.93 177.78 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.7 t -88.28 145.15 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -85.89 23.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.59 -53.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.46 -3.46 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 62.92 36.7 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -92.17 145.07 30.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 92.58 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 44' ' ' GLY . 26.1 mt -77.34 4.4 10.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.466 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -34.06 -57.58 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.1 p -123.21 38.15 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -125.12 169.8 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 p -84.21 137.29 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.426 ' C ' HG22 ' A' ' 49' ' ' VAL . 29.2 p90 -156.41 -178.07 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.597 HG13 ' CE1' ' A' ' 61' ' ' TYR . 3.4 t -142.63 115.8 6.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.731 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.56 33.31 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -153.95 116.59 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.63 45.59 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.41 -19.78 5.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 56' ' ' TYR . . . -82.47 134.81 35.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -106.19 107.87 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.567 ' CE2' ' HB1' ' A' ' 54' ' ' ALA . 77.4 m-85 -112.01 131.37 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.59 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -63.13 163.77 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.71 -54.49 0.76 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.59 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.3 Cg_endo -69.78 -53.13 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.54 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.4 m -53.18 -18.94 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.597 ' CE1' HG13 ' A' ' 49' ' ' VAL . 88.8 t80 -93.72 -53.92 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.86 -24.82 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -81.66 -44.72 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -63.6 -37.68 88.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' THR . 29.0 t -67.61 138.75 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.469 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 3.1 t -91.6 -13.07 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.23 -60.84 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -94.48 -36.15 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.69 34.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.67 178.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.7 m -99.71 102.12 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.51 120.18 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -141.52 177.89 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.706 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -132.83 150.23 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -150.32 115.51 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.05 131.6 37.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.85 14.95 59.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.52 -35.4 5.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.577 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 31.2 mt-30 -66.9 174.55 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 70.9 m -144.58 127.06 15.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.0 m-90 -125.83 147.57 49.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -70.78 145.08 50.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.16 -15.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -109.22 -15.78 14.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.71 -39.51 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.706 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 24.0 t80 -64.62 98.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.5 mt -119.27 179.44 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 24.8 t -89.97 148.9 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.517 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -89.19 22.9 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.01 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.8 -4.44 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.15 37.24 11.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -95.74 145.57 29.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 96.09 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 29.9 mt -78.91 5.18 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.18 -11.48 46.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 t -124.94 -35.63 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 4.1 ptm85 -93.44 164.02 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -75.35 167.46 21.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' C ' HG22 ' A' ' 49' ' ' VAL . 36.4 p90 -167.29 -176.89 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.7 t -139.34 115.23 8.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 141.12 44.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -157.35 111.92 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm 48.13 45.83 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.73 -19.22 6.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.48 124.34 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -96.55 107.87 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.3 m-85 -113.6 131.47 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.5 p -62.6 171.38 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -39.82 -54.55 4.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.82 -52.49 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.6 m -54.14 -19.23 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE2' HG11 ' A' ' 49' ' ' VAL . 89.0 t80 -94.0 -50.86 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -69.29 -16.93 63.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -88.48 -40.48 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -35.38 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 30.2 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.0 t -70.69 135.6 48.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.347 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.456 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 7.6 t -90.63 -14.05 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -59.33 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.22 -35.24 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.98 -12.46 31.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.67 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.3 m -107.9 105.8 15.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.129 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 t -72.76 125.95 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -151.38 176.24 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.7 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -132.99 151.5 52.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -149.55 116.09 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.3 m-85 -133.47 130.97 39.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.54 -87.97 0.52 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.34 9.5 0.94 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.562 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 12.4 mm100 -116.85 -179.78 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.1 m -144.87 131.04 19.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.9 m-90 -125.59 151.54 46.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 21.4 m80 -74.57 146.42 42.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.4 -14.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -110.47 -14.2 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 m -92.14 -37.47 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.7 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.4 t80 -67.59 98.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.5 mt -120.47 178.51 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.0 t -91.54 144.53 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -85.0 22.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.9 -53.32 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -110.6 -2.52 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 59.79 38.63 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -97.48 145.88 30.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 48' ' ' PHE . 35.7 mt -73.17 1.81 8.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.86 -10.25 18.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.4 m -126.29 -35.88 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.451 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 10.3 ptp180 -93.68 157.62 16.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -71.27 164.89 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CB ' HD12 ' A' ' 43' ' ' LEU . 28.6 p90 -166.94 -177.28 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.577 HG11 ' CE1' ' A' ' 61' ' ' TYR . 4.1 t -131.35 113.49 15.72 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 102.79 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -102.82 -175.24 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -43.3 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 29.23 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -142.15 131.12 23.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.35 108.63 20.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 73.0 m-85 -115.65 131.34 56.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.566 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.34 171.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.579 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.33 -54.85 3.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.75 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.488 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.7 m -53.76 -19.22 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CE1' HG11 ' A' ' 49' ' ' VAL . 64.1 t80 -93.86 -55.88 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.22 -23.38 66.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -79.6 -50.41 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.1 ptmt -61.91 -32.51 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 36.0 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.433 ' N ' HG21 ' A' ' 15' ' ' VAL . 37.1 t -69.44 134.08 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.9 t -90.11 -7.29 54.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.29 -59.06 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -97.46 -29.08 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.89 -14.89 48.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.62 -179.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -106.12 101.33 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.577 HG23 ' CE1' ' A' ' 30' ' ' HIS . 10.9 t -72.23 120.9 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 179.897 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' CE ' ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -143.33 178.37 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.656 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.4 mt -134.57 155.05 51.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG3' ' CE ' ' A' ' 21' ' ' LYS . 26.5 mt-10 -150.43 115.28 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -134.76 133.4 39.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.3 0.19 10.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.8 -34.16 4.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.1 mm100 -69.4 179.38 2.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.5 m -144.15 127.53 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.1 m-90 -125.5 144.75 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.577 ' CE1' HG23 ' A' ' 15' ' ' VAL . 16.9 m80 -67.96 143.98 55.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -50.58 -15.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 22.2 p-80 -109.27 -15.97 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.5 -36.95 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.656 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.8 t80 -67.44 97.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 mt -119.24 177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.7 t -90.41 145.91 24.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.526 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.37 22.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.89 -51.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -111.72 -2.47 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 60.01 37.68 21.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -98.09 146.21 31.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 94.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 32.9 mt -76.2 3.68 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.38 -17.33 39.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.8 m -121.11 -39.36 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 16.6 ptp180 -87.29 152.96 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 m -68.94 163.57 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.465 ' CZ ' ' CE2' ' A' ' 34' ' ' PHE . 30.7 p90 -165.88 -176.97 4.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.58 HG13 ' CE1' ' A' ' 61' ' ' TYR . 4.2 t -130.51 113.53 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 102.6 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -102.41 -175.88 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.17 99.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.57 28.71 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.522 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.07 127.15 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.112 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -98.74 108.84 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 74.3 m-85 -115.51 131.24 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.576 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.16 173.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.93 -54.45 7.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.79 -51.83 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.1 m -54.47 -20.05 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CE1' HG13 ' A' ' 49' ' ' VAL . 70.0 t80 -93.74 -53.73 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -67.31 -16.32 64.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -88.21 -44.59 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.71 -26.65 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 43.6 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.2 t -62.18 138.03 58.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.49 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.7 t -91.69 -10.6 39.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.72 -62.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.42 -31.9 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -14.84 41.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.59 179.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.962 0.41 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -103.2 103.66 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.7 t -74.07 119.43 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mmt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.918 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -149.05 176.91 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.4 mt -136.99 152.54 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -151.29 115.12 4.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -135.2 136.56 41.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.65 10.11 35.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.06 -34.36 5.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.0 mm-40 -67.38 178.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.4 m -144.7 126.88 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.586 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.0 m-90 -125.77 148.81 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -73.42 145.42 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.35 -14.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -110.49 -15.0 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.91 -40.04 11.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.2 t80 -66.28 95.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 mt -117.76 179.16 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 t -91.36 147.09 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.8 23.04 2.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -52.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.4 p -112.9 -4.31 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 63.15 37.49 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -93.46 143.77 27.17 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 48' ' ' PHE . 17.2 mt -75.43 6.13 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -34.18 -51.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -130.69 38.35 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -124.96 162.85 23.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 p -77.72 131.43 37.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' CB ' HD11 ' A' ' 43' ' ' LEU . 24.5 p90 -151.46 -177.46 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 61' ' ' TYR . 3.2 t -143.12 114.31 5.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 136.41 32.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -154.33 118.17 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mttp 47.42 43.3 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.18 -20.36 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -82.09 127.71 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -98.8 108.63 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 70.9 m-85 -113.05 129.29 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.26 164.06 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.32 -54.78 0.68 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.78 -52.26 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.5 m -54.14 -17.7 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.603 ' CE1' ' CE1' ' A' ' 65' ' ' PHE . 92.2 t80 -94.47 -50.54 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.97 -22.49 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -82.19 -49.14 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -60.8 -29.84 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 37.4 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 29.2 t -66.45 141.89 57.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.472 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.8 t -94.46 -14.98 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 -60.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.31 -33.14 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.36 -11.51 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.9 -179.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -104.73 98.54 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.433 HG23 ' CE1' ' A' ' 30' ' ' HIS . 29.2 t -65.34 107.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.2 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 19.6 mtt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.944 0.402 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -145.79 -179.58 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -137.5 150.96 47.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -149.64 116.46 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -133.75 116.44 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 -107.97 2.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.29 24.48 5.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.573 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 66.7 mt-30 -134.24 173.39 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 52.1 m -144.63 132.06 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 21.9 m-90 -125.89 152.85 45.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CE1' HG23 ' A' ' 15' ' ' VAL . 23.3 m80 -76.03 147.93 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' CD ' ' HD2' ' A' ' 20' ' ' ARG . 3.8 tt0 -53.77 -13.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -110.55 -15.07 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.0 m -92.34 -36.37 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.8 t80 -66.58 99.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.94 176.2 6.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.7 t -88.75 145.47 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.513 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.45 22.69 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.86 -53.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -111.18 -3.88 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.89 37.68 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -94.08 143.95 27.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 90.3 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.0 mt -73.83 3.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.68 -50.43 1.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 m -124.28 35.65 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -128.08 163.22 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 m -82.55 132.23 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.427 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.0 p90 -150.54 -177.24 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.58 HG12 ' CE1' ' A' ' 61' ' ' TYR . 5.3 t -133.21 115.13 13.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . 15.4 t0 -105.0 -178.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -42.25 96.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 44.19 27.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.49 ' HB3' ' CE2' ' A' ' 56' ' ' TYR . . . -140.88 128.84 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 111.06 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -100.8 108.37 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.5 m-85 -115.31 131.12 57.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.575 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.8 166.65 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.575 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -34.97 -55.04 1.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.0 Cg_endo -69.83 -53.08 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.503 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.5 m -53.94 -18.87 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CE1' HG12 ' A' ' 49' ' ' VAL . 69.2 t80 -94.0 -54.27 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.16 -25.35 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -79.96 -45.04 19.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -64.25 -38.44 91.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 16.4 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' THR . 31.7 t -65.1 140.13 58.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.471 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.5 t -92.44 -12.59 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.93 -62.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -93.35 -33.34 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.61 -14.8 35.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.47 -178.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.419 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.6 m -102.59 101.79 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.6 98.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.6 mmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.522 0.677 . . . . 0.0 110.908 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -148.46 173.34 13.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -131.77 151.5 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -150.03 115.43 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.4 m-85 -134.5 137.62 44.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.27 6.6 7.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.69 -36.75 3.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.3 mm100 -66.36 177.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.5 m -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.586 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.6 m-90 -126.04 149.7 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -72.66 145.35 47.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -51.7 -14.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.32 -15.43 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -91.17 -38.26 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.4 t80 -65.53 98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.5 mt -118.03 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 21.8 t -90.83 148.01 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -87.34 22.66 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -52.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.35 -2.72 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 59.2 38.39 23.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -98.89 148.7 34.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 96.43 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 48' ' ' PHE . 49.0 mt -77.73 2.74 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.03 -4.77 16.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.3 p -123.55 -41.58 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -96.58 159.86 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -69.72 170.03 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.491 ' C ' HG23 ' A' ' 49' ' ' VAL . 43.4 p90 -167.7 -178.21 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG12 ' CE2' ' A' ' 61' ' ' TYR . 2.9 t -136.03 115.02 10.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.85 58.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -162.04 114.79 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 46.92 45.4 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.31 -20.9 5.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.86 129.37 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.1 m80 -101.14 108.47 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.8 m-85 -111.36 129.67 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.59 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.51 165.38 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.55 -54.53 0.94 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.714 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.59 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.82 -52.45 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.503 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m -54.23 -18.74 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.581 ' CE2' HG12 ' A' ' 49' ' ' VAL . 70.6 t80 -93.87 -54.09 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -63.44 -22.13 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -80.04 -48.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.517 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 5.3 ptmt -62.88 -31.38 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 40.6 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -69.86 -59.02 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -138.87 175.09 9.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.98 130.85 5.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 m -120.3 94.16 4.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -108.08 47.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.58 160.69 50.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.43 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.87 137.65 57.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.468 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 4.6 t -91.95 -10.18 40.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.818 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.57 -60.55 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -95.99 -32.31 12.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.29 -14.44 39.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.29 178.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.4 m -101.38 107.55 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG11 ' CD ' ' A' ' 21' ' ' LYS . 29.4 t -73.89 116.12 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.9 mmt -90.24 147.83 37.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.87 37.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.92 39.43 3.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -168.99 154.86 6.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -57.09 114.34 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' CE ' ' OE2' ' A' ' 23' ' ' GLU . 15.1 pttm -136.79 175.48 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -135.28 152.53 51.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' OE2' ' CE ' ' A' ' 21' ' ' LYS . 32.7 mt-10 -151.95 115.81 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -134.45 141.83 46.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.92 10.01 6.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.89 -35.19 4.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.565 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.2 mm100 -67.83 176.88 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.5 m -144.92 127.34 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.2 m-90 -125.76 150.27 47.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -73.21 146.05 45.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.93 -14.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.1 -14.94 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.75 -39.78 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -65.73 96.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 mt -117.54 178.94 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.4 t -91.72 143.16 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -84.11 22.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.6 -52.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.5 -4.25 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 61.62 38.64 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -98.5 145.81 30.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 93.14 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 48' ' ' PHE . 41.8 mt -72.99 2.74 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.76 -6.83 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 t -131.56 -34.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.878 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 3.2 ptp180 -94.06 154.25 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -68.6 164.15 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CB ' HD11 ' A' ' 43' ' ' LEU . 27.4 p90 -166.59 -177.2 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 61' ' ' TYR . 4.2 t -132.09 113.65 14.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 106.15 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' GLY . 23.9 t0 -106.99 -174.91 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -43.35 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 43.22 27.77 0.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.02 128.53 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -99.51 108.59 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.1 m-85 -116.38 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.571 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.06 173.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.14 -54.64 5.61 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -52.56 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.4 m -53.8 -19.4 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.581 ' CE1' HG11 ' A' ' 49' ' ' VAL . 70.6 t80 -93.81 -51.33 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.62 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -83.37 -44.7 14.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.8 ptmt -69.4 -30.48 68.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 27.7 m-85 -93.24 17.4 11.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.84 144.25 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 p -81.47 124.94 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.75 144.26 5.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -6.67 19.13 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.318 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.3 m -39.4 122.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -66.61 -47.82 71.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.499 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -125.84 98.73 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -99.26 -49.09 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.821 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.93 120.73 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -91.68 -47.01 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 p -97.68 132.3 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.79 158.26 27.78 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.1 t -63.69 141.32 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 11.5 t -95.3 -12.75 25.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.46 -59.62 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -96.63 -30.68 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.31 -15.39 42.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.5 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -107.12 108.72 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' CD2' ' A' ' 30' ' ' HIS . 58.8 t -79.23 113.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.5 mmt -84.33 148.26 52.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -33.14 17.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.626 2.218 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.06 40.04 2.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -165.58 145.72 6.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.04 127.09 4.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' CD ' HG13 ' A' ' 15' ' ' VAL . 36.3 pttt -160.67 175.67 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.7 mt -132.07 151.24 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -147.51 115.94 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 13.4 m-85 -134.14 123.32 24.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.51 -97.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.41 7.95 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.57 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.1 mm-40 -115.9 178.52 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 55.5 m -145.0 132.13 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.7 m-90 -126.28 150.63 48.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CD2' HG22 ' A' ' 15' ' ' VAL . 25.8 m80 -75.52 147.36 39.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.99 -13.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -110.37 -13.64 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -93.49 -38.95 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 35.0 t80 -68.75 99.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.62 179.26 4.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.9 t -91.21 144.65 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -85.67 23.49 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.93 -48.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.08 -5.15 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 62.78 37.94 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -98.92 145.52 30.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.548 0.689 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 94.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 48' ' ' PHE . 40.8 mt -74.47 4.05 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.48 -4.86 14.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 p -123.86 -42.46 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -94.33 167.35 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 m -79.34 168.45 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CG ' HD11 ' A' ' 43' ' ' LEU . 40.0 p90 -165.56 -176.97 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.579 HG11 ' CE1' ' A' ' 61' ' ' TYR . 3.9 t -130.41 114.42 17.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.728 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 109.35 2.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -111.64 -178.43 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -40.34 99.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.86 29.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.553 ' HB3' ' CE2' ' A' ' 56' ' ' TYR . . . -143.11 127.23 17.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -99.29 109.03 21.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 54' ' ' ALA . 78.4 m-85 -113.25 132.17 55.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.579 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.64 170.46 2.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.11 -54.67 3.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.69 -52.99 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.502 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.66 -18.92 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE1' HG11 ' A' ' 49' ' ' VAL . 66.2 t80 -94.16 -54.16 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -62.96 -25.13 68.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -73.44 -49.66 25.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.55 -40.56 93.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -91.59 11.47 24.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.78 -61.38 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 t -109.52 169.87 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.16 -163.58 17.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -47.27 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.0 p -175.11 166.43 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.6 t -80.21 86.78 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.488 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -120.52 41.86 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 4' ' ' GLY . 28.2 t -81.8 146.2 30.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.13 109.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -135.07 160.29 38.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.391 . . . . 0.0 110.826 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -100.67 106.7 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.69 162.49 21.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 27.3 t -64.84 139.61 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.477 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.9 t -94.33 -8.23 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.24 -55.86 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -98.01 -33.85 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.11 9.24 45.61 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.98 -175.27 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.6 m -101.84 104.21 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.518 HG21 ' CE1' ' A' ' 30' ' ' HIS . 42.8 t -75.43 106.22 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.7 mmt -77.09 149.77 80.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 165.3 31.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.254 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.14 -45.09 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -67.95 147.3 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -51.76 107.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CD ' HG13 ' A' ' 15' ' ' VAL . 59.7 pttt -139.53 179.81 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -140.21 151.11 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -134.54 133.31 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.42 25.02 64.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.08 -33.85 5.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.585 ' CB ' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -68.62 171.97 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 87.0 m -144.54 126.86 15.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.585 ' CH2' ' CB ' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.05 149.07 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.518 ' CE1' HG21 ' A' ' 15' ' ' VAL . 27.3 m80 -71.93 145.87 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -52.39 -13.93 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -110.38 -14.29 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.2 m -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.5 t80 -66.36 97.58 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -121.71 179.6 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 30.4 t -91.26 148.7 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.524 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -89.66 23.04 2.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.15 -48.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -115.3 -3.67 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 61.84 35.75 16.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -91.92 143.71 28.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 91.49 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD13 ' CG ' ' A' ' 48' ' ' PHE . 19.5 mt -74.41 4.33 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -42.26 -47.67 5.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 p -124.63 33.7 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 110.923 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -128.87 164.23 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 m -84.26 132.63 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CG ' HD13 ' A' ' 43' ' ' LEU . 28.8 p90 -150.91 -177.25 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 61' ' ' TYR . 4.4 t -133.45 114.72 13.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 103.57 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -103.26 -174.77 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.74 98.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.67 27.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.37 128.36 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.428 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 24.3 m170 -100.7 108.62 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.2 m-85 -114.72 131.13 56.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.565 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.68 166.0 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.567 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.54 -55.53 0.69 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.77 -53.61 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.2 m -53.97 -19.07 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.64 ' CE1' ' CE1' ' A' ' 65' ' ' PHE . 72.8 t80 -93.82 -53.85 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.37 -19.81 64.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.31 -44.14 20.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -30.98 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.64 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 -92.58 13.85 18.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.65 167.6 21.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.3 p -42.75 132.5 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.8 -105.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 88.96 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -63.09 -59.32 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.5 p -91.38 149.83 21.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.446 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -45.29 149.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -145.56 140.01 27.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.18 45.42 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -48.44 113.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -46.4 119.9 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.18 158.13 20.27 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' N ' HG22 ' A' ' 15' ' ' VAL . 24.4 t -66.75 139.63 57.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.486 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.9 t -93.39 -13.47 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.02 -60.87 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -94.65 -32.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.58 -14.08 38.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.25 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.7 m -107.39 99.6 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 30' ' ' HIS . 23.2 t -64.42 116.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mtt -91.28 148.4 37.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.578 0.704 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -21.68 33.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.73 36.59 2.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -165.87 153.45 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -58.2 121.46 10.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -143.4 179.58 7.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.712 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.98 152.07 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.968 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.89 116.16 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 12.9 m-85 -133.78 122.36 23.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -99.64 1.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.53 16.77 3.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.3 mm-40 -125.25 177.9 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.1 m -145.02 131.93 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.4 m-90 -126.25 150.56 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' HG21 ' A' ' 15' ' ' VAL . 21.7 m80 -73.99 147.69 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -53.02 -14.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -110.23 -14.96 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.39 -37.57 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.712 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 27.6 t80 -68.01 99.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt -122.36 177.79 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.4 t -88.1 149.45 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -90.54 23.05 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.9 p -112.1 -5.26 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.9 37.07 9.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -93.72 143.39 26.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 93.85 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLY . 20.2 mt -77.5 4.49 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . . . -36.97 -42.32 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -121.32 -30.13 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.347 . . . . 0.0 110.809 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -64.14 159.81 19.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 m -81.65 145.67 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' HZ ' ' CE1' ' A' ' 24' ' ' TYR . 29.4 p90 -156.56 -177.26 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.569 HG11 ' CE1' ' A' ' 61' ' ' TYR . 4.6 t -133.64 116.1 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.695 0.76 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 101.33 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -101.61 -174.72 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 97.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.17 28.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.98 132.55 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -102.42 108.29 19.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.519 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.8 m-85 -115.64 132.15 56.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.568 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.89 168.59 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.574 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -36.37 -55.2 1.46 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.654 0.74 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.78 -53.46 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.491 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.4 m -53.93 -19.53 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CE1' HG11 ' A' ' 49' ' ' VAL . 71.6 t80 -94.08 -51.43 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.41 -18.4 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.24 -46.63 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -67.71 -29.28 68.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.449 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 51.1 m-85 -100.9 17.35 22.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -86.04 76.35 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' ALA . 52.1 p 35.85 43.6 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.97 116.67 5.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' SER . 54.1 Cg_endo -69.75 108.63 2.12 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.643 2.228 . . . . 0.0 112.368 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.9 t -41.87 96.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 69' ' ' PRO . 52.9 p -50.27 124.4 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -45.3 141.26 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -118.59 80.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.5 123.33 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 p -94.57 -56.52 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -50.31 108.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.57 153.69 17.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 t -63.28 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 14.6 t -92.27 -10.33 38.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.84 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.82 -31.69 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.42 -13.41 47.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -54.22 177.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 m -101.56 98.18 8.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.5 t -59.42 110.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.2 mmm -89.12 153.95 49.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 163.98 36.2 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.39 -38.49 2.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 20' ' ' ARG . 3.4 m -85.11 125.48 32.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 19' ' ' SER . 35.0 mmt-85 -34.53 117.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -140.63 177.33 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.688 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -139.46 151.46 46.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -151.49 115.58 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -134.68 141.91 46.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 9.02 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -34.25 5.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.581 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.0 mm-40 -68.58 177.84 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.0 m -144.91 127.96 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.5 m-90 -125.98 150.55 47.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -73.84 145.23 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.407 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 5.6 tt0 -51.36 -14.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -110.23 -15.1 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.18 -37.1 13.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.688 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.5 t80 -66.25 98.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 mt -119.06 177.83 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 23.1 t -89.63 146.14 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.507 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -86.45 22.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.51 -53.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -110.1 -2.74 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 60.66 38.1 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -97.44 146.77 31.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.49 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 48' ' ' PHE . 34.9 mt -78.22 5.15 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.0 -10.57 27.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -127.05 -38.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -89.63 151.21 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -64.41 166.97 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CB ' HD13 ' A' ' 43' ' ' LEU . 41.7 p90 -167.14 -176.96 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.543 ' HB ' ' CG ' ' A' ' 61' ' ' TYR . 2.6 t -139.29 114.0 8.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.36 47.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -159.86 116.86 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttm 47.38 43.74 15.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -20.31 5.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -82.53 126.2 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -97.37 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 71.4 m-85 -112.79 130.18 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.573 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.69 166.93 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.575 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.73 -55.26 0.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -53.37 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.3 m -53.75 -18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.543 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 74.8 t80 -94.01 -54.14 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -61.9 -25.92 67.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -76.39 -49.06 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -62.24 -35.42 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -90.99 14.4 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.31 85.58 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 p -101.68 126.74 48.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.24 -77.51 1.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -173.95 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -87.59 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 p -52.65 -62.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.109 -0.829 . . . . 0.0 112.464 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -139.32 175.5 9.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.931 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -114.9 105.29 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.7 104.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -92.03 80.23 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -103.38 81.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.1 157.24 20.06 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.5 t -64.69 136.53 57.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.6 t -91.16 -8.83 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.01 -60.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -95.05 -32.02 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.31 -14.24 39.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -53.09 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -105.16 99.22 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.6 t -61.35 99.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.16 151.45 94.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' GLY . 53.8 Cg_endo -69.79 -168.64 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' PRO . . . 35.07 38.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.427 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -150.64 137.64 19.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.94 107.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -144.53 178.27 8.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -138.61 151.6 47.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -150.58 115.5 5.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -134.98 141.96 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.73 8.47 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.07 -33.97 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.6 mm-40 -70.0 178.5 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.2 m -144.7 128.63 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.7 m-90 -125.79 149.23 48.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -72.53 144.89 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.2 -15.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -109.06 -16.95 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 m -89.16 -37.48 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.695 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 20.2 t80 -66.84 98.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.4 mt -119.9 178.75 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 t -91.5 145.86 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.497 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.05 23.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -50.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -113.2 -3.7 13.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 60.97 39.39 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -99.88 146.2 31.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 96.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.73 2.286 . . . . 0.0 112.348 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 HD13 ' CB ' ' A' ' 48' ' ' PHE . 29.0 mt -77.94 3.97 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.5 -8.98 7.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -128.62 -38.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 8.0 ptp85 -90.4 151.4 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -65.22 167.24 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' CB ' HD13 ' A' ' 43' ' ' LEU . 40.2 p90 -167.29 -177.11 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG13 ' CE1' ' A' ' 61' ' ' TYR . 2.5 t -140.03 112.65 7.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.38 53.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -161.09 118.89 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 48.43 44.25 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.61 -18.79 6.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -83.61 138.66 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -108.46 108.32 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 70.8 m-85 -112.8 129.69 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.571 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.52 166.73 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.57 -55.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.77 -52.83 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.4 m -54.23 -18.37 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE1' HG13 ' A' ' 49' ' ' VAL . 68.1 t80 -94.22 -51.5 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -64.16 -25.87 68.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -72.65 -50.12 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -64.03 -42.12 97.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -87.22 13.34 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.76 177.29 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -115.57 125.65 53.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -147.07 167.35 28.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.4 Cg_endo -69.79 131.34 21.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' PRO . 84.3 p -36.47 127.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p -139.33 167.54 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.468 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 1' ' ' GLY . 34.7 t -34.5 141.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.818 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 p -101.73 42.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.76 162.95 14.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -173.75 163.48 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -110.96 123.04 49.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.6 156.09 21.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 t -60.29 142.29 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.478 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 37.3 t -94.63 -14.27 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.21 -61.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.93 -33.79 13.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.47 -13.57 39.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.75 176.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.3 m -98.08 100.07 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG13 ' CD ' ' A' ' 21' ' ' LYS . 39.1 t -67.44 114.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 mmm -88.87 154.13 49.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -37.26 9.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.94 44.54 3.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -163.84 134.09 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.27 118.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' CD ' HG13 ' A' ' 15' ' ' VAL . 37.3 pttt -149.13 -178.53 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.702 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.3 mt -138.19 155.17 48.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -151.54 115.73 5.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -134.16 122.25 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.76 -100.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.83 16.79 4.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.471 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.584 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 15.8 mm-40 -123.55 176.21 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 m -144.54 130.07 18.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.7 m-90 -126.16 150.62 48.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 19.5 m80 -75.17 146.78 40.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -53.28 -14.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 28.0 p-80 -110.85 -12.36 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.59 -40.17 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.702 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 33.5 t80 -66.18 93.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -112.64 177.57 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.8 t -88.75 145.44 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.5 m -86.3 24.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.38 -50.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.8 p -115.67 -1.83 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 61.85 35.82 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.39 145.57 31.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 95.14 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.295 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 22.3 mt -81.87 12.9 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -68.29 -9.06 56.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 m -130.74 -38.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 15.7 ptm180 -85.76 163.56 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -77.0 168.36 20.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' C ' HG22 ' A' ' 49' ' ' VAL . 44.9 p90 -167.52 -176.87 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.578 HG12 ' CE1' ' A' ' 61' ' ' TYR . 2.5 t -139.34 112.6 7.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.71 48.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -161.35 120.16 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mttm 46.46 42.75 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.18 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.3 124.3 29.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.326 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -96.27 108.21 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -111.43 132.77 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.571 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.41 172.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.36 -54.55 6.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 -53.05 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.1 m -53.59 -17.97 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.593 ' CE1' ' CE1' ' A' ' 65' ' ' PHE . 88.6 t80 -94.73 -52.2 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.16 -22.84 67.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.429 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -80.06 -47.34 15.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -64.25 -30.24 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 -91.16 17.27 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.17 139.97 33.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -108.05 163.32 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.2 171.57 52.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.2 5.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -149.91 116.77 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -101.04 -58.14 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -111.0 80.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -115.34 175.77 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.13 -41.15 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 6' ' ' SER . 5.1 t -71.98 110.68 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 5' ' ' SER . 80.0 p -34.84 138.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.52 149.69 21.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 21.4 t -63.18 145.5 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.489 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 36.0 t -95.21 -14.53 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.0 -63.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.62 -32.34 16.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.11 53.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.72 175.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -99.66 102.45 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 t -69.96 122.17 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 mmt -97.94 153.43 38.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -33.61 16.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -46.31 -35.92 7.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -107.62 169.58 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -70.94 144.86 50.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' CE ' ' OE2' ' A' ' 23' ' ' GLU . 16.5 pttm -152.86 171.97 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -126.83 149.97 49.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' OE2' ' CE ' ' A' ' 21' ' ' LYS . 15.9 mt-10 -150.49 115.64 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 16.9 m-85 -134.84 138.46 44.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.1 6.57 7.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.1 -37.34 3.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.2 mt-30 -67.2 176.29 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.1 m -144.99 128.18 16.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.2 m-90 -126.32 144.38 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 22.9 m80 -66.67 146.0 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.1 -13.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.74 -12.17 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 m -96.11 -37.02 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.9 t80 -65.57 97.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -119.61 177.04 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.7 t -87.89 144.82 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -86.43 24.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.88 -50.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.03 -3.55 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 63.27 36.92 11.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -93.39 145.47 30.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 96.15 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.304 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 HD12 ' CB ' ' A' ' 48' ' ' PHE . 20.3 mt -82.47 6.16 18.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.9 -39.22 6.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.9 p -117.72 -29.62 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -72.71 162.29 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.05 160.89 25.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.485 ' CB ' HD12 ' A' ' 43' ' ' LEU . 39.3 p90 -167.34 -177.35 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.542 ' HB ' ' CG ' ' A' ' 61' ' ' TYR . 3.4 t -141.51 117.71 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 135.29 30.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -155.38 116.65 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 47.42 42.35 14.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.04 -20.31 5.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -82.1 125.03 30.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -95.87 107.86 20.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 76.6 m-85 -111.81 131.77 55.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.576 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.79 164.15 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.576 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.1 -54.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.576 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.79 -53.92 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 8.2 m -53.3 -18.29 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.542 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 73.8 t80 -94.11 -53.66 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.1 -24.93 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.42 -49.78 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -62.48 -38.15 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -90.81 14.77 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.13 150.93 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -77.9 107.9 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.72 143.7 15.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.26 8.05 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m -88.73 -58.17 2.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.2 p -131.97 143.49 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.487 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -44.18 124.16 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.817 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -64.6 81.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.52 102.74 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.5 p -78.49 -44.09 25.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -112.36 139.88 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.12 153.75 24.9 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 31.9 t -63.48 143.78 57.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.8 t -95.38 -13.7 24.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.87 -61.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -92.98 -33.33 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.52 -9.87 45.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.63 -179.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.2 m -101.83 101.24 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.38 110.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 mtp -78.73 147.07 70.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.503 0.668 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -27.51 26.18 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.71 45.09 3.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -170.58 140.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.86 122.55 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -141.1 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -136.22 150.35 48.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -148.52 114.7 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -135.68 140.88 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.03 6.97 7.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.06 -34.32 5.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.484 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.2 mt-30 -71.37 179.82 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.3 m -144.79 130.01 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.485 ' NE1' ' HB3' ' A' ' 9' ' ' SER . 28.9 m-90 -126.43 145.9 50.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 23.9 m80 -69.05 144.24 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -50.56 -15.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.69 -16.71 14.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 m -89.68 -38.53 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 25.1 t80 -67.04 97.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 mt -119.0 176.15 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.3 t -88.01 147.34 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -88.44 23.4 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -50.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 p -112.66 -4.91 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 62.37 38.84 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -99.33 147.99 34.05 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.66 0.743 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 97.01 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 48' ' ' PHE . 30.8 mt -79.45 1.64 24.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.91 -9.14 9.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -126.03 -40.0 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 9.4 ptp180 -90.02 155.42 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.6 168.06 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.485 ' CB ' HD13 ' A' ' 43' ' ' LEU . 39.5 p90 -167.54 -177.38 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 61' ' ' TYR . 2.9 t -137.52 113.62 9.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 140.38 42.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.36 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -158.82 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt 48.31 43.35 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.94 -18.56 5.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.47 138.01 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -107.05 108.51 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 71.8 m-85 -113.39 130.12 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.97 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.575 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.94 165.06 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -33.9 -54.91 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.71 -52.47 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.51 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 6.9 m -54.28 -18.58 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CE1' HG12 ' A' ' 49' ' ' VAL . 69.1 t80 -94.22 -52.01 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -72.98 -46.71 50.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -66.94 -36.98 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -90.58 15.6 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.08 48.17 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t -170.48 142.47 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.79 162.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 79.98 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.1 p -129.53 78.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 m -90.28 -58.15 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.426 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -167.35 108.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -80.58 -60.79 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.01 178.09 35.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -165.25 146.51 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 p -47.81 115.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.03 157.58 26.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 37.6 t -65.75 135.24 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.484 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.9 t -90.73 -9.3 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.86 -58.52 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.44 -31.83 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.37 -15.34 35.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.81 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.8 m -106.98 103.32 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.84 106.25 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mmt -80.35 145.39 59.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 140.36 42.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.32 -40.71 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' ARG . 3.4 m -84.07 140.96 31.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 8.1 mmp_? -37.63 107.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -139.88 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -137.95 149.7 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -149.25 115.46 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -134.71 140.85 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.77 7.23 7.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.07 -33.87 5.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.581 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.3 mm100 -67.67 178.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.8 m -145.05 126.2 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.13 148.82 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 29.4 m80 -74.28 146.71 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.82 -13.61 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -110.51 -13.37 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.8 m -94.44 -40.89 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 31.4 t80 -64.46 95.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -117.15 176.89 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.9 t -89.23 143.8 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 75.0 m -84.81 24.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.27 -50.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.6 p -114.75 -3.06 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 62.15 36.44 15.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -93.25 144.19 27.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 92.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.737 2.291 . . . . 0.0 112.363 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.534 ' CD2' ' NH2' ' A' ' 46' ' ' ARG . 22.6 mt -76.86 7.77 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.435 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -39.48 -59.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 p -116.71 29.39 7.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH2' ' CD2' ' A' ' 43' ' ' LEU . 11.2 mtm105 -118.68 166.14 13.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 m -86.55 134.1 33.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -151.15 -177.11 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG13 ' CE1' ' A' ' 61' ' ' TYR . 5.2 t -133.52 115.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 103.08 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -104.31 -176.25 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -43.9 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.37 28.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.547 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -142.68 130.76 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -102.78 108.26 19.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 83.6 m-85 -114.57 132.56 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.566 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.54 171.17 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -39.86 -54.66 4.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.513 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.28 -18.98 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.582 ' CE1' HG13 ' A' ' 49' ' ' VAL . 73.4 t80 -93.86 -54.99 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.71 -25.08 66.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -79.48 -45.96 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -63.06 -36.95 85.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -92.8 17.48 10.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.93 173.17 10.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 t -100.27 40.73 1.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.65 -115.53 5.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -177.88 2.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.7 p -69.9 162.13 28.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.4 m -44.21 -55.49 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.508 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -91.43 -44.66 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.391 . . . . 0.0 110.912 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 57.27 47.32 17.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.35 102.46 2.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -61.64 -48.47 80.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -101.99 115.98 31.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.94 160.17 23.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 28' ' ' THR . 17.4 t -65.26 140.26 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.461 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.3 t -93.18 -13.03 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.8 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.74 -33.38 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -13.34 41.7 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.96 176.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 m -99.7 101.3 12.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 HG11 ' CD ' ' A' ' 21' ' ' LYS . 92.2 t -67.25 114.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 mmm -88.72 154.2 50.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -35.75 11.93 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.96 38.96 2.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -160.62 140.02 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.94 121.43 3.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' CD ' HG11 ' A' ' 15' ' ' VAL . 42.8 pttt -144.95 179.8 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.717 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -140.54 151.83 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -150.96 115.16 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -134.08 134.96 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.19 -47.42 1.65 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.07 -20.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 mt-30 -86.51 -176.31 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 97.3 m -144.65 128.18 17.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 25.1 m-90 -125.73 142.5 51.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -63.01 144.09 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.76 -13.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -111.05 -14.17 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.7 m -93.07 -36.42 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.717 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 30.3 t80 -65.14 96.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.35 175.8 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.7 t -88.07 142.37 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.0 m -83.34 23.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -50.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.1 p -114.99 -2.84 12.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 62.11 36.84 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -92.65 143.55 27.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 90.63 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.644 2.23 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.457 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.8 mt -75.55 6.89 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.66 -55.99 2.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.0 p -120.86 32.73 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -121.22 167.99 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 m -87.54 133.29 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.457 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.5 p90 -151.08 -176.78 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG12 ' CE1' ' A' ' 61' ' ' TYR . 4.3 t -133.63 115.1 13.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.01 -174.68 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -44.99 99.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.11 28.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -142.11 130.26 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.097 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -102.83 108.79 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 81.5 m-85 -115.02 132.81 56.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.563 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.02 172.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -40.98 -54.78 5.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.661 0.743 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -53.52 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 15.8 m -53.5 -18.98 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE1' HG12 ' A' ' 49' ' ' VAL . 68.0 t80 -93.98 -53.13 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -64.43 -23.02 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -82.05 -49.03 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.2 ptmt -61.47 -31.23 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 43.0 m-85 -100.13 15.89 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.93 136.1 33.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.7 t -119.21 86.05 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.33 127.43 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 86.07 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.8 t -79.65 135.29 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.1 p -42.08 120.29 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.45 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -117.34 -44.37 2.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 110.785 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -132.26 140.28 48.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.46 70.6 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -125.64 -59.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -131.92 66.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.8 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.15 162.84 15.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 35.2 t -68.06 132.61 47.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 12.8 t -91.08 -3.47 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.27 -49.31 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -105.83 -30.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.01 49.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.76 -177.32 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 m -104.3 101.54 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 HG22 ' CE1' ' A' ' 30' ' ' HIS . 24.4 t -75.44 119.58 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.5 mmt -88.46 151.26 48.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -33.82 15.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.47 37.33 2.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -159.51 138.54 11.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -43.67 122.9 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -150.76 176.29 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.52 151.59 51.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -149.49 115.14 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -135.4 128.57 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.71 23.1 70.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.12 -34.48 5.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.587 ' CB ' ' CH2' ' A' ' 29' ' ' TRP . 16.4 mt-30 -67.19 173.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.3 m -145.03 125.95 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' CB ' ' A' ' 27' ' ' GLN . 28.1 m-90 -125.71 149.67 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 26.5 m80 -73.47 145.74 45.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.9 -15.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -109.17 -15.92 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 m -90.31 -41.59 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -65.37 95.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 mt -118.61 176.84 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.0 t -88.3 146.29 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 m -88.11 24.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -49.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.5 p -115.16 -4.18 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.64 36.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -92.6 145.32 30.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 93.81 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.488 HD13 ' CB ' ' A' ' 48' ' ' PHE . 24.7 mt -78.12 6.68 7.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -35.87 -57.57 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.4 p -123.93 39.62 3.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -126.75 165.8 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 p -80.88 136.07 36.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.488 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.2 p90 -155.1 -177.63 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 ' CE1' ' A' ' 61' ' ' TYR . 3.2 t -143.26 114.35 5.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 137.8 36.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -155.11 115.97 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 47.3 44.9 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.17 -20.82 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.33 124.12 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -97.92 108.08 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -111.67 130.91 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.584 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -63.07 163.68 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.36 -54.66 0.69 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.72 -53.02 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m -53.33 -18.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 88.2 t80 -94.04 -56.95 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.14 -18.68 61.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -84.61 -45.36 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -66.98 -28.13 68.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.3 m-85 -95.55 17.33 14.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.01 -62.61 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.6 t -94.46 53.56 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.807 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.91 146.8 18.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.41 21.1 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.8 p -79.43 162.58 25.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.9 m 49.76 46.28 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.49 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -78.7 138.54 38.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -67.65 -28.59 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.96 135.72 6.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -79.31 -41.43 28.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -107.06 140.98 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.26 163.61 28.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 28' ' ' THR . 40.6 t -72.67 134.51 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.476 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 5.9 t -91.3 -9.25 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.38 -57.8 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.15 -27.99 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.74 -14.79 56.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.11 177.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -105.26 98.94 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.35 107.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.0 mtp -79.11 154.69 77.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.333 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.99 -44.47 2.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -71.83 162.85 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -66.11 117.33 8.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -143.78 177.32 8.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.711 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -138.27 154.96 49.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -153.55 115.25 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.5 m-85 -134.39 133.61 40.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 -49.56 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.23 -21.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.566 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 12.0 mm100 -86.08 -176.99 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 91.1 m -144.82 128.9 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.3 m-90 -125.85 141.13 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -61.86 143.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -13.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -109.86 -14.72 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 m -93.03 -38.02 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.711 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -63.08 97.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 mt -118.48 176.8 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 t -88.07 145.41 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -87.3 24.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.43 -48.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.93 -5.35 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 63.18 37.41 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -97.05 148.36 34.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.388 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 48' ' ' PHE . 29.7 mt -81.95 5.1 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.79 -6.82 13.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -130.49 -34.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 13.7 ptp180 -94.04 151.23 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 m -65.14 169.27 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.468 ' CB ' HD11 ' A' ' 43' ' ' LEU . 44.6 p90 -167.82 -176.88 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.591 HG12 ' CE1' ' A' ' 61' ' ' TYR . 2.7 t -139.07 113.14 8.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.73 45.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.285 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -160.91 120.94 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 46.24 42.29 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.99 -21.44 4.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 56' ' ' TYR . . . -82.17 125.17 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -96.49 108.02 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 54' ' ' ALA . 79.6 m-85 -111.0 132.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.954 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.57 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.48 172.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.588 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -41.3 -54.39 6.08 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.64 0.734 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.71 -52.59 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.513 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.6 m -53.58 -18.97 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.622 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 78.6 t80 -93.68 -56.93 2.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.04 -24.11 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -78.41 -50.01 12.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -62.85 -27.67 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.9 m-85 -98.62 18.27 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.62 153.59 18.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.8 p -87.71 -46.54 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.26 -143.03 48.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 5.81 1.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m 74.0 52.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.5 p -91.49 121.74 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.512 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -134.47 148.25 50.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -122.61 -47.93 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.54 145.43 15.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -103.38 -40.68 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 m -76.92 53.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.08 161.54 29.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 34.7 t -66.38 135.99 55.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.554 ' HG ' ' NE2' ' A' ' 27' ' ' GLN . 16.1 t -90.29 -8.86 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.11 -61.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.62 -31.87 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.63 -13.92 42.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.31 179.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.6 m -104.42 105.81 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.1 t -74.24 111.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mmt -87.46 154.22 53.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 172.28 12.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.395 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.77 -44.87 2.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -77.02 149.87 35.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -54.61 115.38 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -143.67 177.01 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -136.77 149.23 47.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -149.86 115.66 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -135.17 136.9 42.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.44 15.14 44.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.54 -34.13 5.95 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.567 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mm-40 -68.17 174.28 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -143.91 126.24 15.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.6 m-90 -125.53 148.34 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 28.3 m80 -72.73 146.33 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.8 -13.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -109.97 -13.91 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.9 -41.63 9.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -63.56 98.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 mt -120.93 177.78 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.7 t -88.28 145.15 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -85.89 23.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.59 -53.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.46 -3.46 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 62.92 36.7 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -92.17 145.07 30.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 92.58 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 44' ' ' GLY . 26.1 mt -77.34 4.4 10.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.466 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -34.06 -57.58 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.1 p -123.21 38.15 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -125.12 169.8 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 p -84.21 137.29 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' C ' HG22 ' A' ' 49' ' ' VAL . 29.2 p90 -156.41 -178.07 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.597 HG13 ' CE1' ' A' ' 61' ' ' TYR . 3.4 t -142.63 115.8 6.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.731 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.56 33.31 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -153.95 116.59 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.63 45.59 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.41 -19.78 5.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 56' ' ' TYR . . . -82.47 134.81 35.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -106.19 107.87 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.567 ' CE2' ' HB1' ' A' ' 54' ' ' ALA . 77.4 m-85 -112.01 131.37 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.59 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -63.13 163.77 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.71 -54.49 0.76 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.59 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.3 Cg_endo -69.78 -53.13 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.54 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.4 m -53.18 -18.94 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.597 ' CE1' HG13 ' A' ' 49' ' ' VAL . 88.8 t80 -93.72 -53.92 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.86 -24.82 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -81.66 -44.72 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -63.6 -37.68 88.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -87.66 16.19 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.16 139.3 53.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -119.12 149.14 42.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.78 137.72 9.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.85 69.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -55.38 155.58 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.4 m -95.47 115.33 27.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.797 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.498 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -123.54 41.82 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -133.37 162.93 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.803 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.16 81.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -92.18 75.4 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -77.2 131.59 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.98 159.66 24.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' THR . 29.0 t -67.61 138.75 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.469 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 3.1 t -91.6 -13.07 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.23 -60.84 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -94.48 -36.15 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.69 34.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.67 178.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.7 m -99.71 102.12 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.51 120.18 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.0 mmt -98.13 153.96 37.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -38.88 7.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.36 -38.88 2.98 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.7 m -104.6 158.11 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -64.16 136.66 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -141.52 177.89 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.706 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -132.83 150.23 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -150.32 115.51 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.05 131.6 37.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.85 14.95 59.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.52 -35.4 5.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.577 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 31.2 mt-30 -66.9 174.55 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 70.9 m -144.58 127.06 15.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.0 m-90 -125.83 147.57 49.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -70.78 145.08 50.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.16 -15.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -109.22 -15.78 14.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.71 -39.51 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.706 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 24.0 t80 -64.62 98.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.5 mt -119.27 179.44 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 24.8 t -89.97 148.9 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.517 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -89.19 22.9 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.01 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.8 -4.44 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.15 37.24 11.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -95.74 145.57 29.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 96.09 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 29.9 mt -78.91 5.18 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.18 -11.48 46.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 t -124.94 -35.63 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 4.1 ptm85 -93.44 164.02 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -75.35 167.46 21.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' C ' HG22 ' A' ' 49' ' ' VAL . 36.4 p90 -167.29 -176.89 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.7 t -139.34 115.23 8.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 141.12 44.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -157.35 111.92 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm 48.13 45.83 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.73 -19.22 6.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.48 124.34 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -96.55 107.87 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.3 m-85 -113.6 131.47 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.5 p -62.6 171.38 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -39.82 -54.55 4.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.82 -52.49 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.6 m -54.14 -19.23 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE2' HG11 ' A' ' 49' ' ' VAL . 89.0 t80 -94.0 -50.86 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -69.29 -16.93 63.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -88.48 -40.48 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -35.38 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 30.2 m-85 -87.24 15.71 6.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.04 36.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.3 p -159.84 137.23 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -115.28 83.2 0.33 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.312 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -94.92 83.92 4.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.8 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -121.49 85.66 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.478 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 m -80.82 171.06 15.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -80.02 -60.41 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 66.6 53.55 27.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' GLY . 41.6 t -35.72 -45.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.843 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -104.22 -76.23 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.59 158.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.0 t -70.69 135.6 48.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.347 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.456 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 7.6 t -90.63 -14.05 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -59.33 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.22 -35.24 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.98 -12.46 31.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.67 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.3 m -107.9 105.8 15.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.129 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 t -72.76 125.95 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.9 mmt -101.21 152.48 37.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -49.78 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.91 1.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 m -100.0 155.01 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -56.21 133.17 52.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -151.38 176.24 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.7 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -132.99 151.5 52.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -149.55 116.09 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.3 m-85 -133.47 130.97 39.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.54 -87.97 0.52 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.34 9.5 0.94 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.562 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 12.4 mm100 -116.85 -179.78 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.1 m -144.87 131.04 19.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.9 m-90 -125.59 151.54 46.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 21.4 m80 -74.57 146.42 42.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.4 -14.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -110.47 -14.2 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 m -92.14 -37.47 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.7 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.4 t80 -67.59 98.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.5 mt -120.47 178.51 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.0 t -91.54 144.53 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -85.0 22.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.9 -53.32 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -110.6 -2.52 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 59.79 38.63 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -97.48 145.88 30.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 48' ' ' PHE . 35.7 mt -73.17 1.81 8.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.86 -10.25 18.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.4 m -126.29 -35.88 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 10.3 ptp180 -93.68 157.62 16.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -71.27 164.89 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CB ' HD12 ' A' ' 43' ' ' LEU . 28.6 p90 -166.94 -177.28 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.577 HG11 ' CE1' ' A' ' 61' ' ' TYR . 4.1 t -131.35 113.49 15.72 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 102.79 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -102.82 -175.24 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -43.3 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 29.23 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -142.15 131.12 23.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.35 108.63 20.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 73.0 m-85 -115.65 131.34 56.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.566 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.34 171.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.579 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.33 -54.85 3.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.75 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.488 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.7 m -53.76 -19.22 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CE1' HG11 ' A' ' 49' ' ' VAL . 64.1 t80 -93.86 -55.88 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.22 -23.38 66.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -79.6 -50.41 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.1 ptmt -61.91 -32.51 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 36.0 m-85 -94.27 17.25 13.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.74 -57.65 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 m -80.52 97.1 7.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -127.53 174.77 18.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 113.82 3.5 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.4 m -104.76 80.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -108.7 169.69 8.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.501 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -139.21 105.77 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -146.49 170.12 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.92 132.17 1.5 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -65.1 -45.87 83.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 p -136.89 139.63 41.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.21 157.79 29.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' N ' HG21 ' A' ' 15' ' ' VAL . 37.1 t -69.44 134.08 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.9 t -90.11 -7.29 54.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.29 -59.06 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -97.46 -29.08 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.89 -14.89 48.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.62 -179.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -106.12 101.33 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.577 HG23 ' CE1' ' A' ' 30' ' ' HIS . 10.9 t -72.23 120.9 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 mmt -93.7 153.6 41.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.05 26.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.95 31.26 2.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -155.59 146.44 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 116.25 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' CE ' ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -143.33 178.37 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.656 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.4 mt -134.57 155.05 51.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG3' ' CE ' ' A' ' 21' ' ' LYS . 26.5 mt-10 -150.43 115.28 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -134.76 133.4 39.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.3 0.19 10.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.8 -34.16 4.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.1 mm100 -69.4 179.38 2.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.5 m -144.15 127.53 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.1 m-90 -125.5 144.75 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.577 ' CE1' HG23 ' A' ' 15' ' ' VAL . 16.9 m80 -67.96 143.98 55.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -50.58 -15.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 22.2 p-80 -109.27 -15.97 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.5 -36.95 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.656 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.8 t80 -67.44 97.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 mt -119.24 177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.7 t -90.41 145.91 24.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.526 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.37 22.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.89 -51.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -111.72 -2.47 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 60.01 37.68 21.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -98.09 146.21 31.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 94.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 32.9 mt -76.2 3.68 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.38 -17.33 39.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.8 m -121.11 -39.36 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 16.6 ptp180 -87.29 152.96 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 m -68.94 163.57 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.465 ' CZ ' ' CE2' ' A' ' 34' ' ' PHE . 30.7 p90 -165.88 -176.97 4.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.58 HG13 ' CE1' ' A' ' 61' ' ' TYR . 4.2 t -130.51 113.53 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 102.6 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -102.41 -175.88 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.17 99.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.57 28.71 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.522 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.07 127.15 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.112 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -98.74 108.84 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 74.3 m-85 -115.51 131.24 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.576 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.16 173.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.93 -54.45 7.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.79 -51.83 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.1 m -54.47 -20.05 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CE1' HG13 ' A' ' 49' ' ' VAL . 70.0 t80 -93.74 -53.73 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -67.31 -16.32 64.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -88.21 -44.59 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.71 -26.65 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 43.6 m-85 -99.54 9.62 42.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -170.62 124.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.6 t -111.6 -41.86 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 -114.68 3.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 107.35 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -128.84 92.87 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.3 t -76.16 143.4 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.494 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -143.93 108.02 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -83.11 84.17 7.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.36 -74.66 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 50.92 45.49 27.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -106.51 150.57 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.08 154.1 23.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.2 t -62.18 138.03 58.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.49 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.7 t -91.69 -10.6 39.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.72 -62.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.42 -31.9 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -14.84 41.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.59 179.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.962 0.41 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -103.2 103.66 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.7 t -74.07 119.43 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mmt -90.56 151.81 44.49 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -34.7 14.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.73 44.87 2.82 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -169.77 137.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -39.79 119.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -149.05 176.91 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.4 mt -136.99 152.54 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -151.29 115.12 4.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -135.2 136.56 41.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.65 10.11 35.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.06 -34.36 5.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.0 mm-40 -67.38 178.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.4 m -144.7 126.88 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.586 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.0 m-90 -125.77 148.81 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -73.42 145.42 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.35 -14.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -110.49 -15.0 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.91 -40.04 11.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.2 t80 -66.28 95.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 mt -117.76 179.16 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 t -91.36 147.09 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.8 23.04 2.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -52.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.4 p -112.9 -4.31 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 63.15 37.49 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -93.46 143.77 27.17 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 48' ' ' PHE . 17.2 mt -75.43 6.13 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -34.18 -51.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -130.69 38.35 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -124.96 162.85 23.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 p -77.72 131.43 37.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' CB ' HD11 ' A' ' 43' ' ' LEU . 24.5 p90 -151.46 -177.46 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 61' ' ' TYR . 3.2 t -143.12 114.31 5.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 136.41 32.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -154.33 118.17 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mttp 47.42 43.3 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.18 -20.36 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -82.09 127.71 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -98.8 108.63 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 54' ' ' ALA . 70.9 m-85 -113.05 129.29 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.26 164.06 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.32 -54.78 0.68 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.78 -52.26 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.5 m -54.14 -17.7 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.603 ' CE1' ' CE1' ' A' ' 65' ' ' PHE . 92.2 t80 -94.47 -50.54 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.97 -22.49 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -82.19 -49.14 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -60.8 -29.84 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 37.4 m-85 -96.25 16.93 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.31 164.11 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.4 m -45.47 111.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.41 123.6 12.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 146.82 61.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -159.75 106.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -117.43 108.68 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.526 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -97.91 126.02 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -106.53 172.28 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.88 85.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m -103.74 91.56 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -38.76 -76.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.07 149.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.422 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 29.2 t -66.45 141.89 57.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.472 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.8 t -94.46 -14.98 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 -60.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.31 -33.14 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.36 -11.51 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.9 -179.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -104.73 98.54 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.433 HG23 ' CE1' ' A' ' 30' ' ' HIS . 29.2 t -65.34 107.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.2 mtp -79.85 154.1 75.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.46 60.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.68 -45.41 3.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' ARG . 35.8 m -68.95 129.36 39.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 19.6 mtt180 -35.76 113.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -145.79 -179.58 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -137.5 150.96 47.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -149.64 116.46 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -133.75 116.44 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 -107.97 2.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.29 24.48 5.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.573 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 66.7 mt-30 -134.24 173.39 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 52.1 m -144.63 132.06 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 21.9 m-90 -125.89 152.85 45.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CE1' HG23 ' A' ' 15' ' ' VAL . 23.3 m80 -76.03 147.93 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' CD ' ' HD2' ' A' ' 20' ' ' ARG . 3.8 tt0 -53.77 -13.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -110.55 -15.07 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.0 m -92.34 -36.37 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.8 t80 -66.58 99.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.94 176.2 6.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.7 t -88.75 145.47 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.513 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.45 22.69 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.86 -53.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -111.18 -3.88 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.89 37.68 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -94.08 143.95 27.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 90.3 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.0 mt -73.83 3.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.68 -50.43 1.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 m -124.28 35.65 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -128.08 163.22 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 m -82.55 132.23 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.0 p90 -150.54 -177.24 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.58 HG12 ' CE1' ' A' ' 61' ' ' TYR . 5.3 t -133.21 115.13 13.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . 15.4 t0 -105.0 -178.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -42.25 96.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 44.19 27.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.49 ' HB3' ' CE2' ' A' ' 56' ' ' TYR . . . -140.88 128.84 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 111.06 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -100.8 108.37 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.5 m-85 -115.31 131.12 57.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.575 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.8 166.65 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.575 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -34.97 -55.04 1.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.0 Cg_endo -69.83 -53.08 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.5 m -53.94 -18.87 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CE1' HG12 ' A' ' 49' ' ' VAL . 69.2 t80 -94.0 -54.27 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.16 -25.35 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -79.96 -45.04 19.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -64.25 -38.44 91.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 16.4 m-85 -86.25 17.31 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.23 -179.94 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.6 m -120.19 157.34 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.06 170.75 26.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.79 19.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.362 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 m -81.61 127.83 33.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 p -103.06 -51.02 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -141.09 173.51 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -115.19 112.81 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.58 101.7 0.17 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -82.73 42.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 p -175.13 131.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.17 152.44 23.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' THR . 31.7 t -65.1 140.13 58.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.471 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.5 t -92.44 -12.59 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.93 -62.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -93.35 -33.34 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.61 -14.8 35.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.47 -178.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.419 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.6 m -102.59 101.79 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.6 98.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.6 mmt -67.35 148.49 98.71 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.522 0.677 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -35.05 13.34 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.56 42.55 2.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -165.94 135.77 3.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -38.45 121.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -148.46 173.34 13.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -131.77 151.5 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -150.03 115.43 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.4 m-85 -134.5 137.62 44.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.27 6.6 7.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.69 -36.75 3.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.3 mm100 -66.36 177.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.5 m -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.586 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.6 m-90 -126.04 149.7 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -72.66 145.35 47.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -51.7 -14.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.32 -15.43 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -91.17 -38.26 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.4 t80 -65.53 98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.5 mt -118.03 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 21.8 t -90.83 148.01 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -87.34 22.66 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -52.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.35 -2.72 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 59.2 38.39 23.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -98.89 148.7 34.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 96.43 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 48' ' ' PHE . 49.0 mt -77.73 2.74 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.03 -4.77 16.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.3 p -123.55 -41.58 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -96.58 159.86 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -69.72 170.03 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.491 ' C ' HG23 ' A' ' 49' ' ' VAL . 43.4 p90 -167.7 -178.21 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG12 ' CE2' ' A' ' 61' ' ' TYR . 2.9 t -136.03 115.02 10.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.85 58.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -162.04 114.79 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 46.92 45.4 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.31 -20.9 5.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.86 129.37 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.1 m80 -101.14 108.47 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.8 m-85 -111.36 129.67 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.59 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.51 165.38 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.55 -54.53 0.94 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.714 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.59 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.82 -52.45 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m -54.23 -18.74 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.581 ' CE2' HG12 ' A' ' 49' ' ' VAL . 70.6 t80 -93.87 -54.09 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -63.44 -22.13 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -80.04 -48.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 5.3 ptmt -62.88 -31.38 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 40.6 m-85 -99.03 15.63 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.72 75.45 10.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 t 39.53 42.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.72 127.01 7.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.5 t -132.71 146.17 51.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -103.96 -43.14 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.47 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' THR . 34.8 t -65.87 137.65 57.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.482 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 4.6 t -91.95 -10.18 40.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.818 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.57 -60.55 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -95.99 -32.31 12.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.29 -14.44 39.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.29 178.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.4 m -101.38 107.55 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 21' ' ' LYS . 29.4 t -73.89 116.12 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.9 mmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB2' HG11 ' A' ' 15' ' ' VAL . 15.1 pttm -136.79 175.48 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -135.28 152.53 51.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.502 ' HG2' HG23 ' A' ' 28' ' ' THR . 32.7 mt-10 -151.95 115.81 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -134.45 141.83 46.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.92 10.01 6.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.89 -35.19 4.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 20.4 mm-40 -67.83 176.88 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HG2' ' A' ' 23' ' ' GLU . 78.5 m -144.92 127.34 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.2 m-90 -125.76 150.27 47.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CE1' HG22 ' A' ' 15' ' ' VAL . 17.6 m80 -73.21 146.05 45.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.93 -14.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.1 -14.94 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.75 -39.78 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -65.73 96.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.2 mt -117.54 178.94 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 22.4 t -91.72 143.16 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -84.11 22.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.6 -52.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.5 -4.25 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 61.62 38.64 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -98.5 145.81 30.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.595 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.4 Cg_endo -69.8 93.14 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.718 HD13 ' CB ' ' A' ' 48' ' ' PHE . 41.8 mt -72.99 2.74 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.442 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -61.76 -6.83 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 t -131.56 -34.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.878 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 3.2 ptp180 -94.06 154.25 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -68.6 164.15 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.718 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.4 p90 -166.59 -177.2 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.693 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.2 t -132.09 113.65 14.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 106.15 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' GLY . 23.9 t0 -106.99 -174.91 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -43.35 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 43.22 27.77 0.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.02 128.53 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -99.51 108.59 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.1 m-85 -116.38 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.06 173.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.14 -54.64 5.61 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -52.56 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.4 m -53.8 -19.4 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.693 ' CD2' HG21 ' A' ' 49' ' ' VAL . 70.6 t80 -93.81 -51.33 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.62 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -83.37 -44.7 14.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.8 ptmt -69.4 -30.48 68.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 27.7 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.1 t -63.69 141.32 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.469 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 11.5 t -95.3 -12.75 25.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.46 -59.62 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -96.63 -30.68 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.31 -15.39 42.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.5 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -107.12 108.72 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.711 HG22 ' NE2' ' A' ' 30' ' ' HIS . 58.8 t -79.23 113.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.841 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HB2' HG11 ' A' ' 15' ' ' VAL . 36.3 pttt -160.67 175.67 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.7 mt -132.07 151.24 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -147.51 115.94 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 13.4 m-85 -134.14 123.32 24.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.51 -97.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.41 7.95 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.591 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.1 mm-40 -115.9 178.52 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 22' ' ' LEU . 55.5 m -145.0 132.13 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.7 m-90 -126.28 150.63 48.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.711 ' NE2' HG22 ' A' ' 15' ' ' VAL . 25.8 m80 -75.52 147.36 39.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.99 -13.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -110.37 -13.64 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -93.49 -38.95 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 35.0 t80 -68.75 99.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.62 179.26 4.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' HB2' HD21 ' A' ' 43' ' ' LEU . 21.9 t -91.21 144.65 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -85.67 23.49 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.93 -48.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.08 -5.15 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 62.78 37.94 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -98.92 145.52 30.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.548 0.689 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 94.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.714 HD13 ' CB ' ' A' ' 48' ' ' PHE . 40.8 mt -74.47 4.05 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.588 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -64.48 -4.86 14.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 p -123.86 -42.46 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HG3' ' HA ' ' A' ' 43' ' ' LEU . 4.8 ptt-85 -94.33 167.35 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 m -79.34 168.45 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.714 ' CB ' HD13 ' A' ' 43' ' ' LEU . 40.0 p90 -165.56 -176.97 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.818 HG11 ' CE2' ' A' ' 61' ' ' TYR . 3.9 t -130.41 114.42 17.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.728 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 109.35 2.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -111.64 -178.43 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -40.34 99.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.86 29.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.11 127.23 17.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -99.29 109.03 21.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.404 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 78.4 m-85 -113.25 132.17 55.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.594 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.64 170.46 2.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.11 -54.67 3.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.69 -52.99 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.66 -18.92 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.818 ' CE2' HG11 ' A' ' 49' ' ' VAL . 66.2 t80 -94.16 -54.16 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -62.96 -25.13 68.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -73.44 -49.66 25.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.55 -40.56 93.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 27.3 t -64.84 139.61 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.9 t -94.33 -8.23 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.24 -55.86 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -98.01 -33.85 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.11 9.24 45.61 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.98 -175.27 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.6 m -101.84 104.21 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.511 HG22 ' CE1' ' A' ' 30' ' ' HIS . 42.8 t -75.43 106.22 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.7 mmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.85 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -139.53 179.81 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -140.21 151.11 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 28' ' ' THR . 29.5 mt-10 -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -134.54 133.31 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.42 25.02 64.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.08 -33.85 5.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.591 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -68.62 171.97 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.469 HG23 ' HG2' ' A' ' 23' ' ' GLU . 87.0 m -144.54 126.86 15.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.05 149.07 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.511 ' CE1' HG22 ' A' ' 15' ' ' VAL . 27.3 m80 -71.93 145.87 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -52.39 -13.93 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -110.38 -14.29 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.2 m -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.5 t80 -66.36 97.58 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.65 HD23 ' HA ' ' A' ' 42' ' ' PRO . 13.0 mt -121.71 179.6 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 30.4 t -91.26 148.7 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.531 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -89.66 23.04 2.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.15 -48.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -115.3 -3.67 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 61.84 35.75 16.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -91.92 143.71 28.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.65 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.73 91.49 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.541 HD13 ' CB ' ' A' ' 48' ' ' PHE . 19.5 mt -74.41 4.33 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.561 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -42.26 -47.67 5.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 p -124.63 33.7 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 110.923 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -128.87 164.23 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 m -84.26 132.63 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.541 ' CB ' HD13 ' A' ' 43' ' ' LEU . 28.8 p90 -150.91 -177.25 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.89 HG11 ' CE2' ' A' ' 61' ' ' TYR . 4.4 t -133.45 114.72 13.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 103.57 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -103.26 -174.77 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.74 98.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.67 27.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.37 128.36 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -100.7 108.62 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.2 m-85 -114.72 131.13 56.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.68 166.0 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.54 -55.53 0.69 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.77 -53.61 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.2 m -53.97 -19.07 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.89 ' CE2' HG11 ' A' ' 49' ' ' VAL . 72.8 t80 -93.82 -53.85 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.37 -19.81 64.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.31 -44.14 20.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -30.98 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.64 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 15' ' ' VAL . 24.4 t -66.75 139.63 57.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.9 t -93.39 -13.47 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.02 -60.87 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -94.65 -32.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.58 -14.08 38.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.25 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.7 m -107.39 99.6 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.568 HG12 ' HD3' ' A' ' 21' ' ' LYS . 23.2 t -64.42 116.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.578 0.704 . . . . 0.0 110.872 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.897 0.38 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HD3' HG12 ' A' ' 15' ' ' VAL . 36.8 pttt -143.4 179.58 7.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.712 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.98 152.07 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.968 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.89 116.16 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 12.9 m-85 -133.78 122.36 23.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -99.64 1.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.53 16.77 3.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.594 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.3 mm-40 -125.25 177.9 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' LEU . 92.1 m -145.02 131.93 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.4 m-90 -126.25 150.56 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.469 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.7 m80 -73.99 147.69 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -53.02 -14.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -110.23 -14.96 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.39 -37.57 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.712 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 27.6 t80 -68.01 99.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.588 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.0 mt -122.36 177.79 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 30.4 t -88.1 149.45 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -90.54 23.05 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.9 p -112.1 -5.26 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.9 37.07 9.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -93.72 143.39 26.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.588 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.1 Cg_endo -69.79 93.85 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.68 HD13 ' CB ' ' A' ' 48' ' ' PHE . 20.2 mt -77.5 4.49 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -36.97 -42.32 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -121.32 -30.13 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.347 . . . . 0.0 110.809 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -64.14 159.81 19.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 m -81.65 145.67 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.68 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.4 p90 -156.56 -177.26 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.918 HG11 ' CE2' ' A' ' 61' ' ' TYR . 4.6 t -133.64 116.1 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.695 0.76 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 101.33 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -101.61 -174.72 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 97.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.17 28.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.98 132.55 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -102.42 108.29 19.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.8 m-85 -115.64 132.15 56.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.579 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.89 168.59 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -36.37 -55.2 1.46 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.654 0.74 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.78 -53.46 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.4 m -53.93 -19.53 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.918 ' CE2' HG11 ' A' ' 49' ' ' VAL . 71.6 t80 -94.08 -51.43 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.41 -18.4 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.24 -46.63 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -67.71 -29.28 68.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 51.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 15' ' ' VAL . 22.9 t -63.28 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 14.6 t -92.27 -10.33 38.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.84 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.82 -31.69 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.42 -13.41 47.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -54.22 177.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 m -101.56 98.18 8.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.455 HG21 HG22 ' A' ' 28' ' ' THR . 40.5 t -59.42 110.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.2 mmm . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HB3' ' CD ' ' A' ' 31' ' ' GLU . 35.0 mmt-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -140.63 177.33 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.688 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -139.46 151.46 46.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HG2' HG23 ' A' ' 28' ' ' THR . 70.9 mt-10 -151.49 115.58 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -134.68 141.91 46.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 9.02 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -34.25 5.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.601 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.0 mm-40 -68.58 177.84 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.455 HG22 HG21 ' A' ' 15' ' ' VAL . 90.0 m -144.91 127.96 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.601 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.5 m-90 -125.98 150.55 47.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -73.84 145.23 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 5.6 tt0 -51.36 -14.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -110.23 -15.1 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.18 -37.1 13.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.688 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.5 t80 -66.25 98.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.4 mt -119.06 177.83 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 23.1 t -89.63 146.14 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -86.45 22.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.51 -53.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -110.1 -2.74 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 60.66 38.1 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -97.44 146.77 31.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.529 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.9 Cg_endo -69.72 95.49 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.707 HD13 ' CB ' ' A' ' 48' ' ' PHE . 34.9 mt -78.22 5.15 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.494 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -62.0 -10.57 27.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -127.05 -38.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -89.63 151.21 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -64.41 166.97 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.707 ' CB ' HD13 ' A' ' 43' ' ' LEU . 41.7 p90 -167.14 -176.96 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.788 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.6 t -139.29 114.0 8.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.36 47.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -159.86 116.86 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttm 47.38 43.74 15.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -20.31 5.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.53 126.2 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.0 m80 -97.37 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 71.4 m-85 -112.79 130.18 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.584 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.69 166.93 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.73 -55.26 0.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -53.37 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.3 m -53.75 -18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE2' HG11 ' A' ' 49' ' ' VAL . 74.8 t80 -94.01 -54.14 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -61.9 -25.92 67.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -76.39 -49.06 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -62.24 -35.42 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' N ' HG23 ' A' ' 15' ' ' VAL . 34.5 t -64.69 136.53 57.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.478 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.6 t -91.16 -8.83 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.01 -60.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -95.05 -32.02 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.31 -14.24 39.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -53.09 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -105.16 99.22 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.559 HG21 HG22 ' A' ' 28' ' ' THR . 47.6 t -61.35 99.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.892 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -144.53 178.27 8.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -138.61 151.6 47.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -150.58 115.5 5.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -134.98 141.96 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.73 8.47 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.07 -33.97 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.6 mm-40 -70.0 178.5 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.559 HG22 HG21 ' A' ' 15' ' ' VAL . 93.2 m -144.7 128.63 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.7 m-90 -125.79 149.23 48.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -72.53 144.89 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.2 -15.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -109.06 -16.95 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 m -89.16 -37.48 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.695 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 20.2 t80 -66.84 98.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.4 mt -119.9 178.75 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.434 ' HB2' HD21 ' A' ' 43' ' ' LEU . 26.4 t -91.5 145.86 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.05 23.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.837 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -50.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -113.2 -3.7 13.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 60.97 39.39 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -99.88 146.2 31.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.467 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.72 96.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.73 2.286 . . . . 0.0 112.348 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.705 HD13 ' CB ' ' A' ' 48' ' ' PHE . 29.0 mt -77.94 3.97 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.488 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.5 -8.98 7.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -128.62 -38.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 8.0 ptp85 -90.4 151.4 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -65.22 167.24 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.705 ' CB ' HD13 ' A' ' 43' ' ' LEU . 40.2 p90 -167.29 -177.11 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.732 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.5 t -140.03 112.65 7.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.38 53.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -161.09 118.89 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 48.43 44.25 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.61 -18.79 6.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.61 138.66 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.4 m80 -108.46 108.32 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 70.8 m-85 -112.8 129.69 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.52 166.73 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.57 -55.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.77 -52.83 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' HB2' ' HG ' ' A' ' 57' ' ' CYS . 10.4 m -54.23 -18.37 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.732 ' CE2' HG11 ' A' ' 49' ' ' VAL . 68.1 t80 -94.22 -51.5 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -64.16 -25.87 68.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -72.65 -50.12 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -64.03 -42.12 97.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.543 ' N ' HG23 ' A' ' 15' ' ' VAL . 21.7 t -60.29 142.29 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.48 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 37.3 t -94.63 -14.27 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.21 -61.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.93 -33.79 13.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.47 -13.57 39.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.75 176.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.3 m -98.08 100.07 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG12 ' HD3' ' A' ' 21' ' ' LYS . 39.1 t -67.44 114.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 mmm . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.868 0.366 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.678 ' HD3' HG12 ' A' ' 15' ' ' VAL . 37.3 pttt -149.13 -178.53 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.702 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.3 mt -138.19 155.17 48.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -151.54 115.73 5.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -134.16 122.25 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.76 -100.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.83 16.79 4.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.471 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.604 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 15.8 mm-40 -123.55 176.21 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 22' ' ' LEU . 73.2 m -144.54 130.07 18.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.604 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.7 m-90 -126.16 150.62 48.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' A' ' 15' ' ' VAL . 19.5 m80 -75.17 146.78 40.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -53.28 -14.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 28.0 p-80 -110.85 -12.36 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.59 -40.17 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.702 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 33.5 t80 -66.18 93.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 42' ' ' PRO . 8.3 mt -112.64 177.57 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.8 t -88.75 145.44 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.5 m -86.3 24.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.38 -50.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.8 p -115.67 -1.83 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 61.85 35.82 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.39 145.57 31.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.1 Cg_endo -69.85 95.14 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.295 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.573 HD13 ' CB ' ' A' ' 48' ' ' PHE . 22.3 mt -81.87 12.9 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.594 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -68.29 -9.06 56.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 m -130.74 -38.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 15.7 ptm180 -85.76 163.56 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -77.0 168.36 20.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CB ' HD13 ' A' ' 43' ' ' LEU . 44.9 p90 -167.52 -176.87 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 2.5 t -139.34 112.6 7.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.71 48.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -161.35 120.16 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mttm 46.46 42.75 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.18 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.3 124.3 29.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.326 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -96.27 108.21 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.408 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 78.8 m-85 -111.43 132.77 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.584 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.41 172.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.36 -54.55 6.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 -53.05 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.1 m -53.59 -17.97 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.689 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 88.6 t80 -94.73 -52.2 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.16 -22.84 67.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.429 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -80.06 -47.34 15.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -64.25 -30.24 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 21.4 t -63.18 145.5 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.489 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 36.0 t -95.21 -14.53 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.0 -63.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.62 -32.34 16.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.11 53.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.72 175.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -99.66 102.45 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.601 HG22 ' CE1' ' A' ' 30' ' ' HIS . 5.4 t -69.96 122.17 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.348 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.541 ' HB2' HG11 ' A' ' 15' ' ' VAL . 16.5 pttm -152.86 171.97 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -126.83 149.97 49.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 28' ' ' THR . 15.9 mt-10 -150.49 115.64 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 16.9 m-85 -134.84 138.46 44.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.1 6.57 7.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.1 -37.34 3.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.2 mt-30 -67.2 176.29 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 23' ' ' GLU . 94.1 m -144.99 128.18 16.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.2 m-90 -126.32 144.38 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.601 ' CE1' HG22 ' A' ' 15' ' ' VAL . 22.9 m80 -66.67 146.0 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.1 -13.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.74 -12.17 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 m -96.11 -37.02 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.9 t80 -65.57 97.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.0 mt -119.61 177.04 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.426 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.7 t -87.89 144.82 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -86.43 24.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.88 -50.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.03 -3.55 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 63.27 36.92 11.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -93.39 145.47 30.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.516 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.82 96.15 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.592 HD13 ' CB ' ' A' ' 48' ' ' PHE . 20.3 mt -82.47 6.16 18.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -44.9 -39.22 6.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.9 p -117.72 -29.62 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -72.71 162.29 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.05 160.89 25.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CB ' HD13 ' A' ' 43' ' ' LEU . 39.3 p90 -167.34 -177.35 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.797 HG11 ' CE2' ' A' ' 61' ' ' TYR . 3.4 t -141.51 117.71 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 135.29 30.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -155.38 116.65 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 47.42 42.35 14.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.04 -20.31 5.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.1 125.03 30.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -95.87 107.86 20.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.401 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 76.6 m-85 -111.81 131.77 55.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.585 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.79 164.15 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.591 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.1 -54.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.7 Cg_endo -69.79 -53.92 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.502 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 8.2 m -53.3 -18.29 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.797 ' CE2' HG11 ' A' ' 49' ' ' VAL . 73.8 t80 -94.11 -53.66 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.1 -24.93 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.42 -49.78 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -62.48 -38.15 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' N ' HG23 ' A' ' 15' ' ' VAL . 31.9 t -63.48 143.78 57.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.481 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.8 t -95.38 -13.7 24.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.87 -61.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -92.98 -33.33 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.52 -9.87 45.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.63 -179.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.2 m -101.83 101.24 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.538 HG21 HG22 ' A' ' 28' ' ' THR . 40.0 t -63.38 110.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 mtp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.503 0.668 . . . . 0.0 110.902 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HB2' HG11 ' A' ' 15' ' ' VAL . 17.1 pttm -141.1 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -136.22 150.35 48.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -148.52 114.7 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.401 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 17.5 m-85 -135.68 140.88 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.03 6.97 7.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.06 -34.32 5.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.505 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.2 mt-30 -71.37 179.82 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.538 HG22 HG21 ' A' ' 15' ' ' VAL . 96.3 m -144.79 130.01 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.9 m-90 -126.43 145.9 50.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 23.9 m80 -69.05 144.24 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -50.56 -15.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.69 -16.71 14.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 m -89.68 -38.53 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 25.1 t80 -67.04 97.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.6 mt -119.0 176.15 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.489 ' HB2' HD21 ' A' ' 43' ' ' LEU . 24.3 t -88.01 147.34 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.512 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -88.44 23.4 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -50.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 p -112.66 -4.91 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 62.37 38.84 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -99.33 147.99 34.05 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.66 0.743 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.481 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.76 97.01 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' CB ' ' A' ' 48' ' ' PHE . 30.8 mt -79.45 1.64 24.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.664 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.91 -9.14 9.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -126.03 -40.0 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 9.4 ptp180 -90.02 155.42 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.6 168.06 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CB ' HD13 ' A' ' 43' ' ' LEU . 39.5 p90 -167.54 -177.38 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.755 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.9 t -137.52 113.62 9.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 140.38 42.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.36 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -158.82 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt 48.31 43.35 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.94 -18.56 5.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.47 138.01 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -107.05 108.51 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.512 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 71.8 m-85 -113.39 130.12 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.97 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.94 165.06 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -33.9 -54.91 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.71 -52.47 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 6.9 m -54.28 -18.58 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.755 ' CE2' HG11 ' A' ' 49' ' ' VAL . 69.1 t80 -94.22 -52.01 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -72.98 -46.71 50.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -66.94 -36.98 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 37.6 t -65.75 135.24 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.495 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.9 t -90.73 -9.3 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.86 -58.52 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.44 -31.83 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.37 -15.34 35.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.81 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.8 m -106.98 103.32 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.689 HG22 ' NE2' ' A' ' 30' ' ' HIS . 59.0 t -70.84 106.25 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.844 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 8.1 mmp_? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -139.88 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -137.95 149.7 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.609 ' HG2' HG23 ' A' ' 28' ' ' THR . 38.2 mt-10 -149.25 115.46 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -134.71 140.85 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.77 7.23 7.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.07 -33.87 5.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.6 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 21.7 mm-40 -67.67 178.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.609 HG23 ' HG2' ' A' ' 23' ' ' GLU . 45.8 m -145.05 126.2 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.13 148.82 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.689 ' NE2' HG22 ' A' ' 15' ' ' VAL . 29.4 m80 -74.28 146.71 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.82 -13.61 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -110.51 -13.37 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.8 m -94.44 -40.89 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 31.4 t80 -64.46 95.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 42' ' ' PRO . 11.7 mt -117.15 176.89 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.428 ' HB2' HD21 ' A' ' 43' ' ' LEU . 18.9 t -89.23 143.8 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 75.0 m -84.81 24.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.27 -50.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.6 p -114.75 -3.06 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 62.15 36.44 15.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -93.25 144.19 27.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.594 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.1 Cg_endo -69.77 92.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.737 2.291 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.592 HD13 ' CB ' ' A' ' 48' ' ' PHE . 22.6 mt -76.86 7.77 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.441 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -39.48 -59.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 p -116.71 29.39 7.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH2' ' CD2' ' A' ' 43' ' ' LEU . 11.2 mtm105 -118.68 166.14 13.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 m -86.55 134.1 33.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CB ' HD13 ' A' ' 43' ' ' LEU . 32.6 p90 -151.15 -177.11 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.677 HG21 ' CD2' ' A' ' 61' ' ' TYR . 5.2 t -133.52 115.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 103.08 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -104.31 -176.25 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -43.9 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.37 28.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.76 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -102.78 108.26 19.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 83.6 m-85 -114.57 132.56 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.54 171.17 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -39.86 -54.66 4.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.28 -18.98 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.677 ' CD2' HG21 ' A' ' 49' ' ' VAL . 73.4 t80 -93.86 -54.99 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.71 -25.08 66.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -79.48 -45.96 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -63.06 -36.95 85.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 28' ' ' THR . 17.4 t -65.26 140.26 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.3 t -93.18 -13.03 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.8 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.74 -33.38 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -13.34 41.7 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.96 176.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 m -99.7 101.3 12.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' HB2' ' A' ' 21' ' ' LYS . 92.2 t -67.25 114.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 mmm . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' HB2' HG11 ' A' ' 15' ' ' VAL . 42.8 pttt -144.95 179.8 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.717 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -140.54 151.83 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -150.96 115.16 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -134.08 134.96 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.19 -47.42 1.65 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.07 -20.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 mt-30 -86.51 -176.31 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 97.3 m -144.65 128.18 17.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 25.1 m-90 -125.73 142.5 51.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -63.01 144.09 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.76 -13.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -111.05 -14.17 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.7 m -93.07 -36.42 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.717 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 30.3 t80 -65.14 96.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 42' ' ' PRO . 6.3 mt -117.35 175.8 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.423 ' HB2' HD21 ' A' ' 43' ' ' LEU . 15.7 t -88.07 142.37 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.0 m -83.34 23.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -50.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.1 p -114.99 -2.84 12.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 62.11 36.84 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -92.65 143.55 27.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.4 Cg_endo -69.72 90.63 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.644 2.23 . . . . 0.0 112.376 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.8 mt -75.55 6.89 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.486 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -38.66 -55.99 2.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.0 p -120.86 32.73 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -121.22 167.99 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 m -87.54 133.29 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.509 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.5 p90 -151.08 -176.78 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.877 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.3 t -133.63 115.1 13.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.01 -174.68 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -44.99 99.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.11 28.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.11 130.26 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -102.83 108.79 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.02 132.81 56.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.573 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.02 172.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -40.98 -54.78 5.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.661 0.743 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -53.52 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 15.8 m -53.5 -18.98 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.877 ' CD2' HG21 ' A' ' 49' ' ' VAL . 68.0 t80 -93.98 -53.13 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -64.43 -23.02 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -82.05 -49.03 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.2 ptmt -61.47 -31.23 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 43.0 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 35.2 t -68.06 132.61 47.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.479 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 12.8 t -91.08 -3.47 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.27 -49.31 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -105.83 -30.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.01 49.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.76 -177.32 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 m -104.3 101.54 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 30' ' ' HIS . 24.4 t -75.44 119.58 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.5 mmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HB2' HG11 ' A' ' 15' ' ' VAL . 51.9 pttt -150.76 176.29 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.52 151.59 51.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -149.49 115.14 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -135.4 128.57 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.71 23.1 70.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.12 -34.48 5.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.587 ' CB ' ' CH2' ' A' ' 29' ' ' TRP . 16.4 mt-30 -67.19 173.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.3 m -145.03 125.95 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' CB ' ' A' ' 27' ' ' GLN . 28.1 m-90 -125.71 149.67 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 15' ' ' VAL . 26.5 m80 -73.47 145.74 45.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.9 -15.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -109.17 -15.92 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 m -90.31 -41.59 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -65.37 95.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.9 mt -118.61 176.84 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.446 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.0 t -88.3 146.29 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 m -88.11 24.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -49.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.5 p -115.16 -4.18 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.64 36.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -92.6 145.32 30.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.609 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.78 93.81 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.489 HD13 ' CB ' ' A' ' 48' ' ' PHE . 24.7 mt -78.12 6.68 7.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.477 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -35.87 -57.57 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.4 p -123.93 39.62 3.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -126.75 165.8 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 p -80.88 136.07 36.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.489 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.2 p90 -155.1 -177.63 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 61' ' ' TYR . 3.2 t -143.26 114.35 5.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 137.8 36.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -155.11 115.97 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 47.3 44.9 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.17 -20.82 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.33 124.12 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -97.92 108.08 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 77.9 m-85 -111.67 130.91 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.598 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -63.07 163.68 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.36 -54.66 0.69 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.72 -53.02 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m -53.33 -18.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 88.2 t80 -94.04 -56.95 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.14 -18.68 61.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -84.61 -45.36 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 5.5 ptmm? -66.98 -28.13 68.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.3 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' THR . 40.6 t -72.67 134.51 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 5.9 t -91.3 -9.25 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.38 -57.8 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.15 -27.99 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.74 -14.79 56.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.11 177.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -105.26 98.94 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.589 HG22 ' CE1' ' A' ' 30' ' ' HIS . 46.3 t -64.35 107.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.87 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HB2' HG11 ' A' ' 15' ' ' VAL . 60.8 pttt -143.78 177.32 8.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.711 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -138.27 154.96 49.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -153.55 115.25 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.5 m-85 -134.39 133.61 40.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 -49.56 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.23 -21.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 33.8 mm-40 -86.08 -176.99 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 22' ' ' LEU . 91.1 m -144.82 128.9 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.586 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.3 m-90 -125.85 141.13 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.589 ' CE1' HG22 ' A' ' 15' ' ' VAL . 20.0 m80 -61.86 143.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -13.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -109.86 -14.72 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 m -93.03 -38.02 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.711 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -63.08 97.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.1 mt -118.48 176.8 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.481 ' HB2' HD21 ' A' ' 43' ' ' LEU . 22.6 t -88.07 145.41 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -87.3 24.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.43 -48.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.93 -5.35 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 63.18 37.41 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -97.05 148.36 34.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.6 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.78 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.388 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 36' ' ' CYS . 29.7 mt -81.95 5.1 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.6 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -62.79 -6.82 13.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -130.49 -34.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 13.7 ptp180 -94.04 151.23 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 m -65.14 169.27 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CB ' HD13 ' A' ' 43' ' ' LEU . 44.6 p90 -167.82 -176.88 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.545 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.7 t -139.07 113.14 8.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.73 45.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.285 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -160.91 120.94 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 46.24 42.29 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.99 -21.44 4.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.17 125.17 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -96.49 108.02 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.405 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 79.6 m-85 -111.0 132.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.954 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.48 172.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -41.3 -54.39 6.08 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.64 0.734 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.71 -52.59 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.6 m -53.58 -18.97 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.622 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 78.6 t80 -93.68 -56.93 2.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.04 -24.11 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -78.41 -50.01 12.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -62.85 -27.67 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.9 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 34.7 t -66.38 135.99 55.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.496 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 16.1 t -90.29 -8.86 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.11 -61.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.62 -31.87 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.63 -13.92 42.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.31 179.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.6 m -104.42 105.81 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.679 HG22 ' NE2' ' A' ' 30' ' ' HIS . 39.1 t -74.24 111.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -143.67 177.01 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -136.77 149.23 47.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HG2' HG23 ' A' ' 28' ' ' THR . 35.2 mt-10 -149.86 115.66 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -135.17 136.9 42.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.44 15.14 44.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.54 -34.13 5.95 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.587 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mm-40 -68.17 174.28 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -143.91 126.24 15.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.6 m-90 -125.53 148.34 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.679 ' NE2' HG22 ' A' ' 15' ' ' VAL . 28.3 m80 -72.73 146.33 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.8 -13.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -109.97 -13.91 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.9 -41.63 9.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -63.56 98.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.6 mt -120.93 177.78 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.404 ' HB2' HD21 ' A' ' 43' ' ' LEU . 18.7 t -88.28 145.15 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -85.89 23.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.59 -53.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.46 -3.46 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 62.92 36.7 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -92.17 145.07 30.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.605 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.2 Cg_endo -69.77 92.58 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.568 HD13 ' CB ' ' A' ' 48' ' ' PHE . 26.1 mt -77.34 4.4 10.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -34.06 -57.58 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.1 p -123.21 38.15 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -125.12 169.8 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 p -84.21 137.29 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.2 p90 -156.41 -178.07 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 3.4 t -142.63 115.8 6.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.731 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.56 33.31 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -153.95 116.59 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.63 45.59 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.41 -19.78 5.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.47 134.81 35.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -106.19 107.87 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 77.4 m-85 -112.01 131.37 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.603 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -63.13 163.77 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.598 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.71 -54.49 0.76 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.3 Cg_endo -69.78 -53.13 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.4 m -53.18 -18.94 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.453 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 88.8 t80 -93.72 -53.92 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.86 -24.82 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -81.66 -44.72 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -63.6 -37.68 88.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' VAL . 29.0 t -67.61 138.75 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 3.1 t -91.6 -13.07 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.23 -60.84 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -94.48 -36.15 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.69 34.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.67 178.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.7 m -99.71 102.12 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.492 HG22 ' CE1' ' A' ' 30' ' ' HIS . 20.6 t -66.51 120.18 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -141.52 177.89 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.706 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -132.83 150.23 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -150.32 115.51 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.05 131.6 37.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.85 14.95 59.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.52 -35.4 5.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 31.2 mt-30 -66.9 174.55 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 70.9 m -144.58 127.06 15.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.595 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.0 m-90 -125.83 147.57 49.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.492 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.9 m80 -70.78 145.08 50.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.16 -15.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -109.22 -15.78 14.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.71 -39.51 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.706 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 24.0 t80 -64.62 98.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.5 mt -119.27 179.44 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 24.8 t -89.97 148.9 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.523 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -89.19 22.9 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.01 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.8 -4.44 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.15 37.24 11.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -95.74 145.57 29.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.572 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.8 Cg_endo -69.77 96.09 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.795 HD13 ' CB ' ' A' ' 48' ' ' PHE . 29.9 mt -78.91 5.18 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.591 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -64.18 -11.48 46.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 t -124.94 -35.63 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 4.1 ptm85 -93.44 164.02 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -75.35 167.46 21.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.795 ' CB ' HD13 ' A' ' 43' ' ' LEU . 36.4 p90 -167.29 -176.89 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.713 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 2.7 t -139.34 115.23 8.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 141.12 44.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -157.35 111.92 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm 48.13 45.83 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.73 -19.22 6.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.48 124.34 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -96.55 107.87 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.3 m-85 -113.6 131.47 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.5 p -62.6 171.38 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.597 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -39.82 -54.55 4.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.82 -52.49 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.478 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.6 m -54.14 -19.23 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.713 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 89.0 t80 -94.0 -50.86 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -69.29 -16.93 63.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -88.48 -40.48 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.71 -35.38 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 30.2 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.0 t -70.69 135.6 48.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.347 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 7.6 t -90.63 -14.05 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -59.33 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.22 -35.24 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.98 -12.46 31.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.67 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.3 m -107.9 105.8 15.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.129 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 30' ' ' HIS . 33.5 t -72.76 125.95 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HB2' HG11 ' A' ' 15' ' ' VAL . 15.5 pttp -151.38 176.24 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.7 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -132.99 151.5 52.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HG2' HG23 ' A' ' 28' ' ' THR . 44.5 mt-10 -149.55 116.09 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.3 m-85 -133.47 130.97 39.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.54 -87.97 0.52 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.34 9.5 0.94 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 38.8 mm-40 -116.85 -179.78 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' LEU . 85.1 m -144.87 131.04 19.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.9 m-90 -125.59 151.54 46.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.642 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.4 m80 -74.57 146.42 42.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.4 -14.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -110.47 -14.2 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 m -92.14 -37.47 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.7 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.4 t80 -67.59 98.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.5 mt -120.47 178.51 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 24.0 t -91.54 144.53 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -85.0 22.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.9 -53.32 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -110.6 -2.52 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 59.79 38.63 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -97.48 145.88 30.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.52 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.84 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.736 HD13 ' CB ' ' A' ' 48' ' ' PHE . 35.7 mt -73.17 1.81 8.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.669 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -60.86 -10.25 18.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.4 m -126.29 -35.88 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 10.3 ptp180 -93.68 157.62 16.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -71.27 164.89 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.736 ' CB ' HD13 ' A' ' 43' ' ' LEU . 28.6 p90 -166.94 -177.28 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.817 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.1 t -131.35 113.49 15.72 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 102.79 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -102.82 -175.24 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -43.3 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 29.23 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.15 131.12 23.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.35 108.63 20.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.0 m-85 -115.65 131.34 56.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.34 171.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.33 -54.85 3.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.75 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.7 m -53.76 -19.22 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.817 ' CD2' HG21 ' A' ' 49' ' ' VAL . 64.1 t80 -93.86 -55.88 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.22 -23.38 66.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -79.6 -50.41 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.1 ptmt -61.91 -32.51 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 36.0 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' N ' HG23 ' A' ' 15' ' ' VAL . 37.1 t -69.44 134.08 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.9 t -90.11 -7.29 54.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.29 -59.06 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -97.46 -29.08 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.89 -14.89 48.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.62 -179.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -106.12 101.33 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.595 HG22 ' CE1' ' A' ' 30' ' ' HIS . 10.9 t -72.23 120.9 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 179.897 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' CE ' ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -143.33 178.37 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.684 HD11 ' HA2' ' A' ' 44' ' ' GLY . 7.4 mt -134.57 155.05 51.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.489 ' HG3' ' CE ' ' A' ' 21' ' ' LYS . 26.5 mt-10 -150.43 115.28 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -134.76 133.4 39.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.3 0.19 10.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.8 -34.16 4.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.1 mm100 -69.4 179.38 2.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.5 m -144.15 127.53 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.1 m-90 -125.5 144.75 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.595 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.9 m80 -67.96 143.98 55.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -50.58 -15.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 22.2 p-80 -109.27 -15.97 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.5 -36.95 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.656 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.8 t80 -67.44 97.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.6 mt -119.24 177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HB2' HD21 ' A' ' 43' ' ' LEU . 24.7 t -90.41 145.91 24.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.37 22.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.89 -51.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -111.72 -2.47 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 60.01 37.68 21.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -98.09 146.21 31.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.0 Cg_endo -69.72 94.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.701 HD13 ' CB ' ' A' ' 48' ' ' PHE . 32.9 mt -76.2 3.68 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.684 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.38 -17.33 39.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.8 m -121.11 -39.36 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 16.6 ptp180 -87.29 152.96 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 m -68.94 163.57 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.701 ' CB ' HD13 ' A' ' 43' ' ' LEU . 30.7 p90 -165.88 -176.97 4.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.722 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.2 t -130.51 113.53 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 102.6 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -102.41 -175.88 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.17 99.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.57 28.71 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.522 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.07 127.15 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.112 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -98.74 108.84 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 74.3 m-85 -115.51 131.24 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.586 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.16 173.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.93 -54.45 7.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.79 -51.83 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.1 m -54.47 -20.05 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.722 ' CD2' HG21 ' A' ' 49' ' ' VAL . 70.0 t80 -93.74 -53.73 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -67.31 -16.32 64.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -88.21 -44.59 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.71 -26.65 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.494 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 43.6 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 28' ' ' THR . 20.2 t -62.18 138.03 58.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.7 t -91.69 -10.6 39.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.72 -62.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.42 -31.9 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -14.84 41.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.59 179.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.962 0.41 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -103.2 103.66 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG22 ' CE1' ' A' ' 30' ' ' HIS . 44.7 t -74.07 119.43 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mmt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.918 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HB2' HG11 ' A' ' 15' ' ' VAL . 30.2 pttt -149.05 176.91 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.4 mt -136.99 152.54 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -151.29 115.12 4.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -135.2 136.56 41.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.65 10.11 35.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.06 -34.36 5.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.0 mm-40 -67.38 178.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 87.4 m -144.7 126.88 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.606 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.0 m-90 -125.77 148.81 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.619 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.1 m80 -73.42 145.42 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.35 -14.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -110.49 -15.0 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.91 -40.04 11.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.2 t80 -66.28 95.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.9 mt -117.76 179.16 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' HD21 ' A' ' 43' ' ' LEU . 26.4 t -91.36 147.09 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.527 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.8 23.04 2.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -52.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.4 p -112.9 -4.31 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 63.15 37.49 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -93.46 143.77 27.17 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.529 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.79 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 48' ' ' PHE . 17.2 mt -75.43 6.13 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.487 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -34.18 -51.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -130.69 38.35 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -124.96 162.85 23.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 p -77.72 131.43 37.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.471 ' CB ' HD13 ' A' ' 43' ' ' LEU . 24.5 p90 -151.46 -177.46 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 61' ' ' TYR . 3.2 t -143.12 114.31 5.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 136.41 32.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -154.33 118.17 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mttp 47.42 43.3 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.18 -20.36 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.09 127.71 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -98.8 108.63 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 70.9 m-85 -113.05 129.29 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.594 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.26 164.06 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.32 -54.78 0.68 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.78 -52.26 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.5 m -54.14 -17.7 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.603 ' CE1' ' CE1' ' A' ' 65' ' ' PHE . 92.2 t80 -94.47 -50.54 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.97 -22.49 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -82.19 -49.14 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -60.8 -29.84 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 37.4 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.433 ' N ' HG23 ' A' ' 15' ' ' VAL . 29.2 t -66.45 141.89 57.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.486 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.8 t -94.46 -14.98 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 -60.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.31 -33.14 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.36 -11.51 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.9 -179.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -104.73 98.54 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 30' ' ' HIS . 29.2 t -65.34 107.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.2 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 19.6 mtt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.944 0.402 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -145.79 -179.58 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -137.5 150.96 47.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -149.64 116.46 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -133.75 116.44 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 -107.97 2.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.29 24.48 5.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.596 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 66.7 mt-30 -134.24 173.39 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 22' ' ' LEU . 52.1 m -144.63 132.06 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 21.9 m-90 -125.89 152.85 45.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' HG22 ' A' ' 15' ' ' VAL . 23.3 m80 -76.03 147.93 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' CD ' ' HD2' ' A' ' 20' ' ' ARG . 3.8 tt0 -53.77 -13.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -110.55 -15.07 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.0 m -92.34 -36.37 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.8 t80 -66.58 99.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 42' ' ' PRO . 13.1 mt -123.94 176.2 6.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 25.7 t -88.75 145.47 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.45 22.69 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.86 -53.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -111.18 -3.88 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.89 37.68 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -94.08 143.95 27.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.0 Cg_endo -69.79 90.3 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.507 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.0 mt -73.83 3.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -37.68 -50.43 1.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 m -124.28 35.65 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -128.08 163.22 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 m -82.55 132.23 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.0 p90 -150.54 -177.24 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.783 HG21 ' CD2' ' A' ' 61' ' ' TYR . 5.3 t -133.21 115.13 13.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . 15.4 t0 -105.0 -178.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -42.25 96.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 44.19 27.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.88 128.84 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 111.06 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -100.8 108.37 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.5 m-85 -115.31 131.12 57.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.8 166.65 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.592 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -34.97 -55.04 1.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.0 Cg_endo -69.83 -53.08 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.5 m -53.94 -18.87 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.783 ' CD2' HG21 ' A' ' 49' ' ' VAL . 69.2 t80 -94.0 -54.27 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.16 -25.35 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -79.96 -45.04 19.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -64.25 -38.44 91.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 16.4 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.516 ' N ' HG23 ' A' ' 15' ' ' VAL . 31.7 t -65.1 140.13 58.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.47 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.5 t -92.44 -12.59 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.93 -62.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -93.35 -33.34 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.61 -14.8 35.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.47 -178.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.419 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.6 m -102.59 101.79 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.527 HG22 ' CE1' ' A' ' 30' ' ' HIS . 21.8 t -68.6 98.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.6 mmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.522 0.677 . . . . 0.0 110.908 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' HB2' HG11 ' A' ' 15' ' ' VAL . 36.9 pttt -148.46 173.34 13.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -131.77 151.5 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -150.03 115.43 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.4 m-85 -134.5 137.62 44.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.27 6.6 7.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.69 -36.75 3.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.603 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 22.6 mm-40 -66.36 177.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.5 m -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.603 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.6 m-90 -126.04 149.7 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.1 m80 -72.66 145.35 47.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -51.7 -14.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.32 -15.43 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -91.17 -38.26 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.4 t80 -65.53 98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 42' ' ' PRO . 8.5 mt -118.03 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 21.8 t -90.83 148.01 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.543 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -87.34 22.66 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -52.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.35 -2.72 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 59.2 38.39 23.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -98.89 148.7 34.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.81 96.43 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.315 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.679 HD13 ' CB ' ' A' ' 48' ' ' PHE . 49.0 mt -77.73 2.74 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.555 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -65.03 -4.77 16.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.3 p -123.55 -41.58 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HG3' ' HA ' ' A' ' 43' ' ' LEU . 4.2 ptt-85 -96.58 159.86 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -69.72 170.03 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.679 ' CB ' HD13 ' A' ' 43' ' ' LEU . 43.4 p90 -167.7 -178.21 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.9 t -136.03 115.02 10.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.85 58.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -162.04 114.79 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 46.92 45.4 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.31 -20.9 5.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.86 129.37 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.1 m80 -101.14 108.47 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.8 m-85 -111.36 129.67 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.602 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.51 165.38 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.55 -54.53 0.94 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.714 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.602 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.82 -52.45 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m -54.23 -18.74 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.705 ' CE2' HG11 ' A' ' 49' ' ' VAL . 70.6 t80 -93.87 -54.09 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -63.44 -22.13 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -80.04 -48.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 5.3 ptmt -62.88 -31.38 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 40.6 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -69.86 -59.02 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -138.87 175.09 9.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.98 130.85 5.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 m -120.3 94.16 4.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -108.08 47.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.58 160.69 50.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.43 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' THR . 34.8 t -65.87 137.65 57.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.482 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 4.6 t -91.95 -10.18 40.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.818 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.57 -60.55 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -95.99 -32.31 12.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.29 -14.44 39.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.29 178.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.4 m -101.38 107.55 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 21' ' ' LYS . 29.4 t -73.89 116.12 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.9 mmt -90.24 147.83 37.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.87 37.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.92 39.43 3.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -168.99 154.86 6.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -57.09 114.34 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB2' HG11 ' A' ' 15' ' ' VAL . 15.1 pttm -136.79 175.48 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -135.28 152.53 51.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.502 ' HG2' HG23 ' A' ' 28' ' ' THR . 32.7 mt-10 -151.95 115.81 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -134.45 141.83 46.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.92 10.01 6.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.89 -35.19 4.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 20.4 mm-40 -67.83 176.88 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HG2' ' A' ' 23' ' ' GLU . 78.5 m -144.92 127.34 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.2 m-90 -125.76 150.27 47.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CE1' HG22 ' A' ' 15' ' ' VAL . 17.6 m80 -73.21 146.05 45.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.93 -14.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.1 -14.94 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.75 -39.78 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -65.73 96.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.2 mt -117.54 178.94 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 22.4 t -91.72 143.16 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -84.11 22.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.6 -52.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.5 -4.25 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 61.62 38.64 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -98.5 145.81 30.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.595 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.4 Cg_endo -69.8 93.14 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.718 HD13 ' CB ' ' A' ' 48' ' ' PHE . 41.8 mt -72.99 2.74 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.442 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -61.76 -6.83 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 t -131.56 -34.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.878 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 3.2 ptp180 -94.06 154.25 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -68.6 164.15 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.718 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.4 p90 -166.59 -177.2 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.693 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.2 t -132.09 113.65 14.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 106.15 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' GLY . 23.9 t0 -106.99 -174.91 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -43.35 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 43.22 27.77 0.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.02 128.53 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -99.51 108.59 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.1 m-85 -116.38 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.06 173.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.14 -54.64 5.61 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -52.56 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.4 m -53.8 -19.4 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.693 ' CD2' HG21 ' A' ' 49' ' ' VAL . 70.6 t80 -93.81 -51.33 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.62 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -83.37 -44.7 14.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.8 ptmt -69.4 -30.48 68.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 27.7 m-85 -93.24 17.4 11.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.84 144.25 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 p -81.47 124.94 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.75 144.26 5.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -6.67 19.13 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.318 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.3 m -39.4 122.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -66.61 -47.82 71.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.499 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -125.84 98.73 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -99.26 -49.09 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.821 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.93 120.73 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -91.68 -47.01 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 p -97.68 132.3 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.79 158.26 27.78 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.1 t -63.69 141.32 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.469 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 11.5 t -95.3 -12.75 25.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.46 -59.62 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -96.63 -30.68 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.31 -15.39 42.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.5 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -107.12 108.72 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.711 HG22 ' NE2' ' A' ' 30' ' ' HIS . 58.8 t -79.23 113.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.5 mmt -84.33 148.26 52.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -33.14 17.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.626 2.218 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.06 40.04 2.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -165.58 145.72 6.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.04 127.09 4.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HB2' HG11 ' A' ' 15' ' ' VAL . 36.3 pttt -160.67 175.67 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.7 mt -132.07 151.24 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -147.51 115.94 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 13.4 m-85 -134.14 123.32 24.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.51 -97.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.41 7.95 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.591 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.1 mm-40 -115.9 178.52 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 22' ' ' LEU . 55.5 m -145.0 132.13 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.7 m-90 -126.28 150.63 48.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.711 ' NE2' HG22 ' A' ' 15' ' ' VAL . 25.8 m80 -75.52 147.36 39.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.99 -13.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -110.37 -13.64 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -93.49 -38.95 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 35.0 t80 -68.75 99.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.62 179.26 4.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' HB2' HD21 ' A' ' 43' ' ' LEU . 21.9 t -91.21 144.65 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -85.67 23.49 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.93 -48.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.08 -5.15 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 62.78 37.94 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -98.92 145.52 30.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.548 0.689 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 94.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.714 HD13 ' CB ' ' A' ' 48' ' ' PHE . 40.8 mt -74.47 4.05 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.588 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -64.48 -4.86 14.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 p -123.86 -42.46 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HG3' ' HA ' ' A' ' 43' ' ' LEU . 4.8 ptt-85 -94.33 167.35 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 m -79.34 168.45 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.714 ' CB ' HD13 ' A' ' 43' ' ' LEU . 40.0 p90 -165.56 -176.97 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.818 HG11 ' CE2' ' A' ' 61' ' ' TYR . 3.9 t -130.41 114.42 17.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.728 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 109.35 2.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -111.64 -178.43 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -40.34 99.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.86 29.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.11 127.23 17.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -99.29 109.03 21.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.404 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 78.4 m-85 -113.25 132.17 55.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.594 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.64 170.46 2.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.11 -54.67 3.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.69 -52.99 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.66 -18.92 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.818 ' CE2' HG11 ' A' ' 49' ' ' VAL . 66.2 t80 -94.16 -54.16 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -62.96 -25.13 68.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -73.44 -49.66 25.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.55 -40.56 93.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -91.59 11.47 24.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.78 -61.38 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 t -109.52 169.87 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.16 -163.58 17.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -47.27 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.0 p -175.11 166.43 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.6 t -80.21 86.78 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.488 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -120.52 41.86 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 4' ' ' GLY . 28.2 t -81.8 146.2 30.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.13 109.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -135.07 160.29 38.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.391 . . . . 0.0 110.826 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -100.67 106.7 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.69 162.49 21.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 27.3 t -64.84 139.61 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.9 t -94.33 -8.23 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.24 -55.86 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -98.01 -33.85 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.11 9.24 45.61 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.98 -175.27 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.6 m -101.84 104.21 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.511 HG22 ' CE1' ' A' ' 30' ' ' HIS . 42.8 t -75.43 106.22 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.7 mmt -77.09 149.77 80.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 165.3 31.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.254 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.14 -45.09 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -67.95 147.3 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -51.76 107.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -139.53 179.81 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -140.21 151.11 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 28' ' ' THR . 29.5 mt-10 -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -134.54 133.31 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.42 25.02 64.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.08 -33.85 5.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.591 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -68.62 171.97 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.469 HG23 ' HG2' ' A' ' 23' ' ' GLU . 87.0 m -144.54 126.86 15.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.05 149.07 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.511 ' CE1' HG22 ' A' ' 15' ' ' VAL . 27.3 m80 -71.93 145.87 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -52.39 -13.93 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -110.38 -14.29 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.2 m -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.5 t80 -66.36 97.58 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.65 HD23 ' HA ' ' A' ' 42' ' ' PRO . 13.0 mt -121.71 179.6 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 30.4 t -91.26 148.7 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.531 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -89.66 23.04 2.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.15 -48.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -115.3 -3.67 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 61.84 35.75 16.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -91.92 143.71 28.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.65 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.73 91.49 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.541 HD13 ' CB ' ' A' ' 48' ' ' PHE . 19.5 mt -74.41 4.33 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.561 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -42.26 -47.67 5.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 p -124.63 33.7 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 110.923 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -128.87 164.23 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 m -84.26 132.63 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.541 ' CB ' HD13 ' A' ' 43' ' ' LEU . 28.8 p90 -150.91 -177.25 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.89 HG11 ' CE2' ' A' ' 61' ' ' TYR . 4.4 t -133.45 114.72 13.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 103.57 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -103.26 -174.77 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.74 98.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.67 27.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.37 128.36 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -100.7 108.62 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.2 m-85 -114.72 131.13 56.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.68 166.0 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.54 -55.53 0.69 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.77 -53.61 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.2 m -53.97 -19.07 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.89 ' CE2' HG11 ' A' ' 49' ' ' VAL . 72.8 t80 -93.82 -53.85 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 29.4 mt-10 -63.37 -19.81 64.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.31 -44.14 20.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -30.98 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.64 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 -92.58 13.85 18.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -142.65 167.6 21.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.3 p -42.75 132.5 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.8 -105.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 88.96 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -63.09 -59.32 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.5 p -91.38 149.83 21.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.446 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -45.29 149.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -145.56 140.01 27.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.18 45.42 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -48.44 113.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -46.4 119.9 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.18 158.13 20.27 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 15' ' ' VAL . 24.4 t -66.75 139.63 57.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.9 t -93.39 -13.47 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.02 -60.87 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -94.65 -32.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.58 -14.08 38.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.25 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.7 m -107.39 99.6 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.568 HG12 ' HD3' ' A' ' 21' ' ' LYS . 23.2 t -64.42 116.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mtt -91.28 148.4 37.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.578 0.704 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -21.68 33.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.73 36.59 2.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -165.87 153.45 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -58.2 121.46 10.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HD3' HG12 ' A' ' 15' ' ' VAL . 36.8 pttt -143.4 179.58 7.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.712 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.98 152.07 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.968 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.89 116.16 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 12.9 m-85 -133.78 122.36 23.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -99.64 1.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.53 16.77 3.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.594 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.3 mm-40 -125.25 177.9 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' LEU . 92.1 m -145.02 131.93 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.4 m-90 -126.25 150.56 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.469 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.7 m80 -73.99 147.69 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -53.02 -14.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -110.23 -14.96 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.39 -37.57 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.712 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 27.6 t80 -68.01 99.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.588 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.0 mt -122.36 177.79 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 30.4 t -88.1 149.45 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -90.54 23.05 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.9 p -112.1 -5.26 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.9 37.07 9.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -93.72 143.39 26.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.588 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.1 Cg_endo -69.79 93.85 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.68 HD13 ' CB ' ' A' ' 48' ' ' PHE . 20.2 mt -77.5 4.49 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -36.97 -42.32 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -121.32 -30.13 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.347 . . . . 0.0 110.809 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -64.14 159.81 19.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 m -81.65 145.67 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.68 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.4 p90 -156.56 -177.26 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.918 HG11 ' CE2' ' A' ' 61' ' ' TYR . 4.6 t -133.64 116.1 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.695 0.76 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 101.33 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -101.61 -174.72 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 97.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.17 28.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.98 132.55 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -102.42 108.29 19.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.8 m-85 -115.64 132.15 56.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.579 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.89 168.59 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -36.37 -55.2 1.46 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.654 0.74 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.78 -53.46 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.475 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.4 m -53.93 -19.53 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.918 ' CE2' HG11 ' A' ' 49' ' ' VAL . 71.6 t80 -94.08 -51.43 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 45.6 mt-10 -68.41 -18.4 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.24 -46.63 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -67.71 -29.28 68.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 51.1 m-85 -100.9 17.35 22.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -86.04 76.35 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' ALA . 52.1 p 35.85 43.6 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.97 116.67 5.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' SER . 54.1 Cg_endo -69.75 108.63 2.12 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.643 2.228 . . . . 0.0 112.368 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.9 t -41.87 96.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 69' ' ' PRO . 52.9 p -50.27 124.4 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -45.3 141.26 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -118.59 80.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.5 123.33 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 p -94.57 -56.52 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -50.31 108.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.57 153.69 17.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 15' ' ' VAL . 22.9 t -63.28 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 14.6 t -92.27 -10.33 38.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.84 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.82 -31.69 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.42 -13.41 47.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -54.22 177.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 m -101.56 98.18 8.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.455 HG21 HG22 ' A' ' 28' ' ' THR . 40.5 t -59.42 110.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.2 mmm -89.12 153.95 49.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 163.98 36.2 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.39 -38.49 2.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 20' ' ' ARG . 3.4 m -85.11 125.48 32.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 19' ' ' SER . 35.0 mmt-85 -34.53 117.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -140.63 177.33 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.688 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -139.46 151.46 46.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HG2' HG23 ' A' ' 28' ' ' THR . 70.9 mt-10 -151.49 115.58 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -134.68 141.91 46.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 9.02 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -34.25 5.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.601 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.0 mm-40 -68.58 177.84 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.455 HG22 HG21 ' A' ' 15' ' ' VAL . 90.0 m -144.91 127.96 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.601 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.5 m-90 -125.98 150.55 47.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -73.84 145.23 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 5.6 tt0 -51.36 -14.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -110.23 -15.1 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.18 -37.1 13.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.688 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.5 t80 -66.25 98.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.4 mt -119.06 177.83 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 23.1 t -89.63 146.14 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -86.45 22.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.51 -53.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -110.1 -2.74 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 60.66 38.1 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -97.44 146.77 31.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.529 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.9 Cg_endo -69.72 95.49 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.707 HD13 ' CB ' ' A' ' 48' ' ' PHE . 34.9 mt -78.22 5.15 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.494 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -62.0 -10.57 27.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -127.05 -38.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -89.63 151.21 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -64.41 166.97 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.707 ' CB ' HD13 ' A' ' 43' ' ' LEU . 41.7 p90 -167.14 -176.96 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.788 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.6 t -139.29 114.0 8.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.36 47.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -159.86 116.86 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttm 47.38 43.74 15.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -20.31 5.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.53 126.2 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.0 m80 -97.37 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 71.4 m-85 -112.79 130.18 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.584 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.69 166.93 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.73 -55.26 0.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -53.37 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.3 m -53.75 -18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE2' HG11 ' A' ' 49' ' ' VAL . 74.8 t80 -94.01 -54.14 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 69.2 mt-10 -61.9 -25.92 67.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -76.39 -49.06 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -62.24 -35.42 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -90.99 14.4 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -99.31 85.58 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 p -101.68 126.74 48.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.24 -77.51 1.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -173.95 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -87.59 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 p -52.65 -62.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.109 -0.829 . . . . 0.0 112.464 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -139.32 175.5 9.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.931 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -114.9 105.29 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.7 104.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -92.03 80.23 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -103.38 81.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.1 157.24 20.06 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' N ' HG23 ' A' ' 15' ' ' VAL . 34.5 t -64.69 136.53 57.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.478 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.6 t -91.16 -8.83 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.01 -60.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -95.05 -32.02 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.31 -14.24 39.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -53.09 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -105.16 99.22 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.559 HG21 HG22 ' A' ' 28' ' ' THR . 47.6 t -61.35 99.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.16 151.45 94.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' GLY . 53.8 Cg_endo -69.79 -168.64 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' PRO . . . 35.07 38.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.427 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -150.64 137.64 19.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.94 107.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -144.53 178.27 8.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -138.61 151.6 47.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -150.58 115.5 5.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -134.98 141.96 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.73 8.47 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.07 -33.97 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.6 mm-40 -70.0 178.5 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.559 HG22 HG21 ' A' ' 15' ' ' VAL . 93.2 m -144.7 128.63 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.7 m-90 -125.79 149.23 48.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -72.53 144.89 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.2 -15.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -109.06 -16.95 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 m -89.16 -37.48 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.695 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 20.2 t80 -66.84 98.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.4 mt -119.9 178.75 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.434 ' HB2' HD21 ' A' ' 43' ' ' LEU . 26.4 t -91.5 145.86 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.05 23.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.837 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -50.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -113.2 -3.7 13.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 60.97 39.39 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -99.88 146.2 31.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.467 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.72 96.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.73 2.286 . . . . 0.0 112.348 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.705 HD13 ' CB ' ' A' ' 48' ' ' PHE . 29.0 mt -77.94 3.97 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.488 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.5 -8.98 7.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -128.62 -38.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 8.0 ptp85 -90.4 151.4 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -65.22 167.24 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.705 ' CB ' HD13 ' A' ' 43' ' ' LEU . 40.2 p90 -167.29 -177.11 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.732 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.5 t -140.03 112.65 7.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.38 53.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -161.09 118.89 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 48.43 44.25 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.61 -18.79 6.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.61 138.66 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.4 m80 -108.46 108.32 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 70.8 m-85 -112.8 129.69 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.52 166.73 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.57 -55.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.77 -52.83 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.4 m -54.23 -18.37 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.732 ' CE2' HG11 ' A' ' 49' ' ' VAL . 68.1 t80 -94.22 -51.5 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -64.16 -25.87 68.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -72.65 -50.12 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -64.03 -42.12 97.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -87.22 13.34 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.76 177.29 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -115.57 125.65 53.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -147.07 167.35 28.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.4 Cg_endo -69.79 131.34 21.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' PRO . 84.3 p -36.47 127.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p -139.33 167.54 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.468 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 1' ' ' GLY . 34.7 t -34.5 141.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.818 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 p -101.73 42.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.76 162.95 14.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -173.75 163.48 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -110.96 123.04 49.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.6 156.09 21.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.543 ' N ' HG23 ' A' ' 15' ' ' VAL . 21.7 t -60.29 142.29 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.48 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 37.3 t -94.63 -14.27 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.21 -61.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.93 -33.79 13.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.47 -13.57 39.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.75 176.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.3 m -98.08 100.07 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG12 ' HD3' ' A' ' 21' ' ' LYS . 39.1 t -67.44 114.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 mmm -88.87 154.13 49.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -37.26 9.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.94 44.54 3.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -163.84 134.09 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.27 118.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.678 ' HD3' HG12 ' A' ' 15' ' ' VAL . 37.3 pttt -149.13 -178.53 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.702 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.3 mt -138.19 155.17 48.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -151.54 115.73 5.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -134.16 122.25 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.76 -100.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.83 16.79 4.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.471 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.604 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 15.8 mm-40 -123.55 176.21 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 22' ' ' LEU . 73.2 m -144.54 130.07 18.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.604 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.7 m-90 -126.16 150.62 48.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' A' ' 15' ' ' VAL . 19.5 m80 -75.17 146.78 40.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -53.28 -14.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 28.0 p-80 -110.85 -12.36 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.59 -40.17 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.702 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 33.5 t80 -66.18 93.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 42' ' ' PRO . 8.3 mt -112.64 177.57 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.8 t -88.75 145.44 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.5 m -86.3 24.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.38 -50.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.8 p -115.67 -1.83 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 61.85 35.82 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.39 145.57 31.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.1 Cg_endo -69.85 95.14 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.295 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.573 HD13 ' CB ' ' A' ' 48' ' ' PHE . 22.3 mt -81.87 12.9 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.594 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -68.29 -9.06 56.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 m -130.74 -38.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 15.7 ptm180 -85.76 163.56 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -77.0 168.36 20.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CB ' HD13 ' A' ' 43' ' ' LEU . 44.9 p90 -167.52 -176.87 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 2.5 t -139.34 112.6 7.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.71 48.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -161.35 120.16 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mttm 46.46 42.75 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.18 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.3 124.3 29.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.326 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -96.27 108.21 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.408 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 78.8 m-85 -111.43 132.77 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.584 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.41 172.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.36 -54.55 6.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 -53.05 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.1 m -53.59 -17.97 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.689 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 88.6 t80 -94.73 -52.2 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.16 -22.84 67.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.429 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -80.06 -47.34 15.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -64.25 -30.24 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 -91.16 17.27 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.17 139.97 33.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -108.05 163.32 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.2 171.57 52.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.2 5.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -149.91 116.77 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -101.04 -58.14 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -111.0 80.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -115.34 175.77 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.13 -41.15 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 6' ' ' SER . 5.1 t -71.98 110.68 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 5' ' ' SER . 80.0 p -34.84 138.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.52 149.69 21.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 21.4 t -63.18 145.5 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.489 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 36.0 t -95.21 -14.53 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.0 -63.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.62 -32.34 16.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.11 53.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.72 175.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -99.66 102.45 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG22 ' CE1' ' A' ' 30' ' ' HIS . 5.4 t -69.96 122.17 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 mmt -97.94 153.43 38.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -33.61 16.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -46.31 -35.92 7.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -107.62 169.58 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -70.94 144.86 50.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.541 ' HB2' HG11 ' A' ' 15' ' ' VAL . 16.5 pttm -152.86 171.97 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -126.83 149.97 49.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 28' ' ' THR . 15.9 mt-10 -150.49 115.64 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 16.9 m-85 -134.84 138.46 44.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.1 6.57 7.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.1 -37.34 3.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.2 mt-30 -67.2 176.29 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 23' ' ' GLU . 94.1 m -144.99 128.18 16.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.2 m-90 -126.32 144.38 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.601 ' CE1' HG22 ' A' ' 15' ' ' VAL . 22.9 m80 -66.67 146.0 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.1 -13.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.74 -12.17 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 m -96.11 -37.02 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.9 t80 -65.57 97.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.0 mt -119.61 177.04 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.426 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.7 t -87.89 144.82 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -86.43 24.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.88 -50.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.03 -3.55 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 63.27 36.92 11.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -93.39 145.47 30.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.516 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.82 96.15 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.592 HD13 ' CB ' ' A' ' 48' ' ' PHE . 20.3 mt -82.47 6.16 18.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -44.9 -39.22 6.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.9 p -117.72 -29.62 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -72.71 162.29 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.05 160.89 25.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CB ' HD13 ' A' ' 43' ' ' LEU . 39.3 p90 -167.34 -177.35 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.797 HG11 ' CE2' ' A' ' 61' ' ' TYR . 3.4 t -141.51 117.71 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 135.29 30.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -155.38 116.65 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 47.42 42.35 14.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.04 -20.31 5.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.1 125.03 30.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -95.87 107.86 20.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.401 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 76.6 m-85 -111.81 131.77 55.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.585 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.79 164.15 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.591 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.1 -54.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.7 Cg_endo -69.79 -53.92 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.502 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 8.2 m -53.3 -18.29 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.797 ' CE2' HG11 ' A' ' 49' ' ' VAL . 73.8 t80 -94.11 -53.66 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.722 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 39.0 mt-10 -63.1 -24.93 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.42 -49.78 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -62.48 -38.15 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -90.81 14.77 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -99.13 150.93 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -77.9 107.9 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.72 143.7 15.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.26 8.05 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m -88.73 -58.17 2.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.2 p -131.97 143.49 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.487 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -44.18 124.16 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.817 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -64.6 81.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.52 102.74 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.5 p -78.49 -44.09 25.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -112.36 139.88 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.12 153.75 24.9 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' N ' HG23 ' A' ' 15' ' ' VAL . 31.9 t -63.48 143.78 57.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.481 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.8 t -95.38 -13.7 24.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.87 -61.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -92.98 -33.33 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.52 -9.87 45.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.63 -179.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.2 m -101.83 101.24 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.538 HG21 HG22 ' A' ' 28' ' ' THR . 40.0 t -63.38 110.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 mtp -78.73 147.07 70.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.503 0.668 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -27.51 26.18 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.71 45.09 3.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -170.58 140.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.86 122.55 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HB2' HG11 ' A' ' 15' ' ' VAL . 17.1 pttm -141.1 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -136.22 150.35 48.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -148.52 114.7 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.401 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 17.5 m-85 -135.68 140.88 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.03 6.97 7.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.06 -34.32 5.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.505 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.2 mt-30 -71.37 179.82 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.538 HG22 HG21 ' A' ' 15' ' ' VAL . 96.3 m -144.79 130.01 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.9 m-90 -126.43 145.9 50.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 23.9 m80 -69.05 144.24 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -50.56 -15.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.69 -16.71 14.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 m -89.68 -38.53 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 25.1 t80 -67.04 97.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.6 mt -119.0 176.15 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.489 ' HB2' HD21 ' A' ' 43' ' ' LEU . 24.3 t -88.01 147.34 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.512 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -88.44 23.4 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -50.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 p -112.66 -4.91 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 62.37 38.84 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -99.33 147.99 34.05 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.66 0.743 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.481 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.76 97.01 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' CB ' ' A' ' 48' ' ' PHE . 30.8 mt -79.45 1.64 24.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.664 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.91 -9.14 9.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -126.03 -40.0 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 9.4 ptp180 -90.02 155.42 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.6 168.06 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CB ' HD13 ' A' ' 43' ' ' LEU . 39.5 p90 -167.54 -177.38 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.755 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.9 t -137.52 113.62 9.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 140.38 42.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.36 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -158.82 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt 48.31 43.35 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.94 -18.56 5.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.47 138.01 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -107.05 108.51 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.512 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 71.8 m-85 -113.39 130.12 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.97 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.94 165.06 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -33.9 -54.91 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.71 -52.47 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 6.9 m -54.28 -18.58 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.755 ' CE2' HG11 ' A' ' 49' ' ' VAL . 69.1 t80 -94.22 -52.01 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 58.6 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -72.98 -46.71 50.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -66.94 -36.98 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -90.58 15.6 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -86.08 48.17 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t -170.48 142.47 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.79 162.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 79.98 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.1 p -129.53 78.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 m -90.28 -58.15 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.426 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -167.35 108.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -80.58 -60.79 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.01 178.09 35.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -165.25 146.51 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 p -47.81 115.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.03 157.58 26.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 37.6 t -65.75 135.24 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.495 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.9 t -90.73 -9.3 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.86 -58.52 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.44 -31.83 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.37 -15.34 35.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.81 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.8 m -106.98 103.32 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.689 HG22 ' NE2' ' A' ' 30' ' ' HIS . 59.0 t -70.84 106.25 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mmt -80.35 145.39 59.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 140.36 42.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.32 -40.71 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' ARG . 3.4 m -84.07 140.96 31.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 8.1 mmp_? -37.63 107.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -139.88 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -137.95 149.7 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.609 ' HG2' HG23 ' A' ' 28' ' ' THR . 38.2 mt-10 -149.25 115.46 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -134.71 140.85 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.77 7.23 7.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.07 -33.87 5.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.6 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 21.7 mm-40 -67.67 178.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.609 HG23 ' HG2' ' A' ' 23' ' ' GLU . 45.8 m -145.05 126.2 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.13 148.82 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.689 ' NE2' HG22 ' A' ' 15' ' ' VAL . 29.4 m80 -74.28 146.71 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.82 -13.61 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -110.51 -13.37 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.8 m -94.44 -40.89 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 31.4 t80 -64.46 95.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 42' ' ' PRO . 11.7 mt -117.15 176.89 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.428 ' HB2' HD21 ' A' ' 43' ' ' LEU . 18.9 t -89.23 143.8 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 75.0 m -84.81 24.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.27 -50.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.6 p -114.75 -3.06 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 62.15 36.44 15.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -93.25 144.19 27.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.594 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.1 Cg_endo -69.77 92.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.737 2.291 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.592 HD13 ' CB ' ' A' ' 48' ' ' PHE . 22.6 mt -76.86 7.77 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.441 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -39.48 -59.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 p -116.71 29.39 7.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH2' ' CD2' ' A' ' 43' ' ' LEU . 11.2 mtm105 -118.68 166.14 13.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 m -86.55 134.1 33.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CB ' HD13 ' A' ' 43' ' ' LEU . 32.6 p90 -151.15 -177.11 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.677 HG21 ' CD2' ' A' ' 61' ' ' TYR . 5.2 t -133.52 115.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 103.08 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -104.31 -176.25 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -43.9 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.37 28.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.76 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -102.78 108.26 19.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 83.6 m-85 -114.57 132.56 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.54 171.17 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -39.86 -54.66 4.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.28 -18.98 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.677 ' CD2' HG21 ' A' ' 49' ' ' VAL . 73.4 t80 -93.86 -54.99 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.71 -25.08 66.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -79.48 -45.96 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -63.06 -36.95 85.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -92.8 17.48 10.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.93 173.17 10.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 t -100.27 40.73 1.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.65 -115.53 5.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -177.88 2.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.7 p -69.9 162.13 28.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.4 m -44.21 -55.49 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.508 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -91.43 -44.66 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.391 . . . . 0.0 110.912 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 57.27 47.32 17.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.35 102.46 2.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -61.64 -48.47 80.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -101.99 115.98 31.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.94 160.17 23.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 28' ' ' THR . 17.4 t -65.26 140.26 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.3 t -93.18 -13.03 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.8 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.74 -33.38 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -13.34 41.7 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.96 176.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 m -99.7 101.3 12.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' HB2' ' A' ' 21' ' ' LYS . 92.2 t -67.25 114.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 mmm -88.72 154.2 50.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -35.75 11.93 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.96 38.96 2.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -160.62 140.02 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.94 121.43 3.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' HB2' HG11 ' A' ' 15' ' ' VAL . 42.8 pttt -144.95 179.8 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.717 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -140.54 151.83 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -150.96 115.16 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -134.08 134.96 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.19 -47.42 1.65 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.07 -20.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 mt-30 -86.51 -176.31 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 97.3 m -144.65 128.18 17.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 25.1 m-90 -125.73 142.5 51.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -63.01 144.09 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.76 -13.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -111.05 -14.17 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.7 m -93.07 -36.42 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.717 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 30.3 t80 -65.14 96.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 42' ' ' PRO . 6.3 mt -117.35 175.8 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.423 ' HB2' HD21 ' A' ' 43' ' ' LEU . 15.7 t -88.07 142.37 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.0 m -83.34 23.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -50.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.1 p -114.99 -2.84 12.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 62.11 36.84 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -92.65 143.55 27.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.4 Cg_endo -69.72 90.63 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.644 2.23 . . . . 0.0 112.376 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.8 mt -75.55 6.89 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.486 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -38.66 -55.99 2.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.0 p -120.86 32.73 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -121.22 167.99 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 m -87.54 133.29 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.5 p90 -151.08 -176.78 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.877 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.3 t -133.63 115.1 13.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.01 -174.68 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -44.99 99.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.11 28.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.11 130.26 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -102.83 108.79 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.02 132.81 56.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.573 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.02 172.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -40.98 -54.78 5.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.661 0.743 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -53.52 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 15.8 m -53.5 -18.98 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.877 ' CD2' HG21 ' A' ' 49' ' ' VAL . 68.0 t80 -93.98 -53.13 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 34.8 mt-10 -64.43 -23.02 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -82.05 -49.03 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.2 ptmt -61.47 -31.23 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 43.0 m-85 -100.13 15.89 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -87.93 136.1 33.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.7 t -119.21 86.05 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.33 127.43 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 86.07 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.8 t -79.65 135.29 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.1 p -42.08 120.29 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.45 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -117.34 -44.37 2.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 110.785 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -132.26 140.28 48.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.46 70.6 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -125.64 -59.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -131.92 66.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.8 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.15 162.84 15.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 35.2 t -68.06 132.61 47.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.479 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 12.8 t -91.08 -3.47 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.27 -49.31 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -105.83 -30.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.01 49.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.76 -177.32 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 m -104.3 101.54 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 30' ' ' HIS . 24.4 t -75.44 119.58 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.5 mmt -88.46 151.26 48.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -33.82 15.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.47 37.33 2.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -159.51 138.54 11.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -43.67 122.9 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HB2' HG11 ' A' ' 15' ' ' VAL . 51.9 pttt -150.76 176.29 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.52 151.59 51.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -149.49 115.14 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -135.4 128.57 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.71 23.1 70.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.12 -34.48 5.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.587 ' CB ' ' CH2' ' A' ' 29' ' ' TRP . 16.4 mt-30 -67.19 173.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.3 m -145.03 125.95 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' CB ' ' A' ' 27' ' ' GLN . 28.1 m-90 -125.71 149.67 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 15' ' ' VAL . 26.5 m80 -73.47 145.74 45.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.9 -15.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -109.17 -15.92 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 m -90.31 -41.59 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -65.37 95.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.9 mt -118.61 176.84 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.446 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.0 t -88.3 146.29 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 m -88.11 24.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -49.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.5 p -115.16 -4.18 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.64 36.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -92.6 145.32 30.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.609 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.78 93.81 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.489 HD13 ' CB ' ' A' ' 48' ' ' PHE . 24.7 mt -78.12 6.68 7.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.477 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -35.87 -57.57 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.4 p -123.93 39.62 3.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -126.75 165.8 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 p -80.88 136.07 36.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.489 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.2 p90 -155.1 -177.63 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 61' ' ' TYR . 3.2 t -143.26 114.35 5.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 137.8 36.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -155.11 115.97 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 47.3 44.9 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.17 -20.82 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.33 124.12 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -97.92 108.08 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 77.9 m-85 -111.67 130.91 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.598 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -63.07 163.68 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.36 -54.66 0.69 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.72 -53.02 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m -53.33 -18.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 88.2 t80 -94.04 -56.95 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.14 -18.68 61.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -84.61 -45.36 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 5.5 ptmm? -66.98 -28.13 68.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.3 m-85 -95.55 17.33 14.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.01 -62.61 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.6 t -94.46 53.56 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.807 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.91 146.8 18.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.41 21.1 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.8 p -79.43 162.58 25.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.9 m 49.76 46.28 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.49 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -78.7 138.54 38.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -67.65 -28.59 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.96 135.72 6.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -79.31 -41.43 28.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -107.06 140.98 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.26 163.61 28.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' THR . 40.6 t -72.67 134.51 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 5.9 t -91.3 -9.25 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.38 -57.8 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.15 -27.99 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.74 -14.79 56.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.11 177.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -105.26 98.94 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.589 HG22 ' CE1' ' A' ' 30' ' ' HIS . 46.3 t -64.35 107.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.0 mtp -79.11 154.69 77.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.333 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.99 -44.47 2.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -71.83 162.85 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -66.11 117.33 8.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HB2' HG11 ' A' ' 15' ' ' VAL . 60.8 pttt -143.78 177.32 8.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.711 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -138.27 154.96 49.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -153.55 115.25 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.5 m-85 -134.39 133.61 40.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 -49.56 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.23 -21.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 33.8 mm-40 -86.08 -176.99 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 22' ' ' LEU . 91.1 m -144.82 128.9 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.586 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.3 m-90 -125.85 141.13 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.589 ' CE1' HG22 ' A' ' 15' ' ' VAL . 20.0 m80 -61.86 143.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -13.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -109.86 -14.72 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 m -93.03 -38.02 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.711 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -63.08 97.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.1 mt -118.48 176.8 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.481 ' HB2' HD21 ' A' ' 43' ' ' LEU . 22.6 t -88.07 145.41 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -87.3 24.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.43 -48.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.93 -5.35 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 63.18 37.41 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -97.05 148.36 34.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.6 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.78 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.388 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 36' ' ' CYS . 29.7 mt -81.95 5.1 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.6 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -62.79 -6.82 13.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -130.49 -34.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 13.7 ptp180 -94.04 151.23 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 m -65.14 169.27 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CB ' HD13 ' A' ' 43' ' ' LEU . 44.6 p90 -167.82 -176.88 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.545 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.7 t -139.07 113.14 8.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.73 45.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.285 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -160.91 120.94 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 46.24 42.29 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.99 -21.44 4.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.17 125.17 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -96.49 108.02 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.405 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 79.6 m-85 -111.0 132.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.954 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.48 172.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -41.3 -54.39 6.08 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.64 0.734 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.71 -52.59 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.6 m -53.58 -18.97 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.622 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 78.6 t80 -93.68 -56.93 2.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.04 -24.11 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -78.41 -50.01 12.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -62.85 -27.67 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.9 m-85 -98.62 18.27 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.62 153.59 18.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.8 p -87.71 -46.54 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.26 -143.03 48.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 5.81 1.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m 74.0 52.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.5 p -91.49 121.74 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.512 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -134.47 148.25 50.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -122.61 -47.93 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.54 145.43 15.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -103.38 -40.68 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 m -76.92 53.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.08 161.54 29.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 34.7 t -66.38 135.99 55.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.496 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 16.1 t -90.29 -8.86 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.11 -61.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.62 -31.87 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.63 -13.92 42.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.31 179.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.6 m -104.42 105.81 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.679 HG22 ' NE2' ' A' ' 30' ' ' HIS . 39.1 t -74.24 111.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mmt -87.46 154.22 53.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 172.28 12.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.395 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.77 -44.87 2.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -77.02 149.87 35.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -54.61 115.38 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -143.67 177.01 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -136.77 149.23 47.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HG2' HG23 ' A' ' 28' ' ' THR . 35.2 mt-10 -149.86 115.66 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -135.17 136.9 42.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.44 15.14 44.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.54 -34.13 5.95 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.587 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mm-40 -68.17 174.28 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -143.91 126.24 15.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.6 m-90 -125.53 148.34 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.679 ' NE2' HG22 ' A' ' 15' ' ' VAL . 28.3 m80 -72.73 146.33 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.8 -13.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -109.97 -13.91 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.9 -41.63 9.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -63.56 98.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.6 mt -120.93 177.78 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.404 ' HB2' HD21 ' A' ' 43' ' ' LEU . 18.7 t -88.28 145.15 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -85.89 23.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.59 -53.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.46 -3.46 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 62.92 36.7 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -92.17 145.07 30.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.605 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.2 Cg_endo -69.77 92.58 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.568 HD13 ' CB ' ' A' ' 48' ' ' PHE . 26.1 mt -77.34 4.4 10.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -34.06 -57.58 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.1 p -123.21 38.15 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -125.12 169.8 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 p -84.21 137.29 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.2 p90 -156.41 -178.07 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 3.4 t -142.63 115.8 6.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.731 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.56 33.31 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -153.95 116.59 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.63 45.59 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.41 -19.78 5.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.47 134.81 35.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -106.19 107.87 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 77.4 m-85 -112.01 131.37 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.603 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -63.13 163.77 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.598 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.71 -54.49 0.76 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.3 Cg_endo -69.78 -53.13 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.4 m -53.18 -18.94 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.453 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 88.8 t80 -93.72 -53.92 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.86 -24.82 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -81.66 -44.72 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -63.6 -37.68 88.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -87.66 16.19 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.16 139.3 53.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -119.12 149.14 42.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.78 137.72 9.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.85 69.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -55.38 155.58 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.4 m -95.47 115.33 27.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.797 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.498 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -123.54 41.82 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -133.37 162.93 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.803 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.16 81.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -92.18 75.4 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -77.2 131.59 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.98 159.66 24.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' VAL . 29.0 t -67.61 138.75 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 3.1 t -91.6 -13.07 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.23 -60.84 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -94.48 -36.15 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.69 34.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.67 178.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.7 m -99.71 102.12 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.492 HG22 ' CE1' ' A' ' 30' ' ' HIS . 20.6 t -66.51 120.18 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.0 mmt -98.13 153.96 37.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -38.88 7.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.36 -38.88 2.98 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.7 m -104.6 158.11 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -64.16 136.66 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -141.52 177.89 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.706 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -132.83 150.23 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -150.32 115.51 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.05 131.6 37.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.85 14.95 59.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.52 -35.4 5.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 31.2 mt-30 -66.9 174.55 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 70.9 m -144.58 127.06 15.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.595 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.0 m-90 -125.83 147.57 49.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.492 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.9 m80 -70.78 145.08 50.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.16 -15.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -109.22 -15.78 14.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.71 -39.51 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.706 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 24.0 t80 -64.62 98.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.5 mt -119.27 179.44 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 24.8 t -89.97 148.9 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.523 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -89.19 22.9 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.01 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.8 -4.44 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.15 37.24 11.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -95.74 145.57 29.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.572 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.8 Cg_endo -69.77 96.09 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.795 HD13 ' CB ' ' A' ' 48' ' ' PHE . 29.9 mt -78.91 5.18 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.591 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -64.18 -11.48 46.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 t -124.94 -35.63 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 4.1 ptm85 -93.44 164.02 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -75.35 167.46 21.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.795 ' CB ' HD13 ' A' ' 43' ' ' LEU . 36.4 p90 -167.29 -176.89 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.713 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 2.7 t -139.34 115.23 8.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 141.12 44.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -157.35 111.92 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm 48.13 45.83 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.73 -19.22 6.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.48 124.34 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -96.55 107.87 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.3 m-85 -113.6 131.47 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.5 p -62.6 171.38 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.597 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -39.82 -54.55 4.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.82 -52.49 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.478 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.6 m -54.14 -19.23 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.713 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 89.0 t80 -94.0 -50.86 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -69.29 -16.93 63.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -88.48 -40.48 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.71 -35.38 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 30.2 m-85 -87.24 15.71 6.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.04 36.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.3 p -159.84 137.23 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -115.28 83.2 0.33 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.312 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -94.92 83.92 4.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.8 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -121.49 85.66 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.478 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 m -80.82 171.06 15.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -80.02 -60.41 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 66.6 53.55 27.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' GLY . 41.6 t -35.72 -45.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.843 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -104.22 -76.23 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.59 158.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.0 t -70.69 135.6 48.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.347 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 7.6 t -90.63 -14.05 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -59.33 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.22 -35.24 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.98 -12.46 31.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.67 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.3 m -107.9 105.8 15.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.129 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 30' ' ' HIS . 33.5 t -72.76 125.95 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.9 mmt -101.21 152.48 37.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -49.78 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.91 1.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 m -100.0 155.01 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -56.21 133.17 52.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HB2' HG11 ' A' ' 15' ' ' VAL . 15.5 pttp -151.38 176.24 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.7 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -132.99 151.5 52.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HG2' HG23 ' A' ' 28' ' ' THR . 44.5 mt-10 -149.55 116.09 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.3 m-85 -133.47 130.97 39.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.54 -87.97 0.52 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.34 9.5 0.94 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 38.8 mm-40 -116.85 -179.78 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' LEU . 85.1 m -144.87 131.04 19.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.9 m-90 -125.59 151.54 46.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.642 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.4 m80 -74.57 146.42 42.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.4 -14.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -110.47 -14.2 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 m -92.14 -37.47 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.7 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.4 t80 -67.59 98.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.5 mt -120.47 178.51 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 24.0 t -91.54 144.53 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -85.0 22.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.9 -53.32 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -110.6 -2.52 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 59.79 38.63 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -97.48 145.88 30.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.52 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.84 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.736 HD13 ' CB ' ' A' ' 48' ' ' PHE . 35.7 mt -73.17 1.81 8.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.669 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -60.86 -10.25 18.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.4 m -126.29 -35.88 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 10.3 ptp180 -93.68 157.62 16.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -71.27 164.89 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.736 ' CB ' HD13 ' A' ' 43' ' ' LEU . 28.6 p90 -166.94 -177.28 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.817 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.1 t -131.35 113.49 15.72 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 102.79 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -102.82 -175.24 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -43.3 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 29.23 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.15 131.12 23.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.35 108.63 20.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.0 m-85 -115.65 131.34 56.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.34 171.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.33 -54.85 3.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.75 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.7 m -53.76 -19.22 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.817 ' CD2' HG21 ' A' ' 49' ' ' VAL . 64.1 t80 -93.86 -55.88 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 46.4 mt-10 -62.22 -23.38 66.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -79.6 -50.41 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.1 ptmt -61.91 -32.51 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 36.0 m-85 -94.27 17.25 13.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -96.74 -57.65 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 m -80.52 97.1 7.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -127.53 174.77 18.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 113.82 3.5 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.4 m -104.76 80.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -108.7 169.69 8.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.501 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -139.21 105.77 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -146.49 170.12 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.92 132.17 1.5 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -65.1 -45.87 83.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 p -136.89 139.63 41.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.21 157.79 29.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' N ' HG23 ' A' ' 15' ' ' VAL . 37.1 t -69.44 134.08 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.9 t -90.11 -7.29 54.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.29 -59.06 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -97.46 -29.08 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.89 -14.89 48.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.62 -179.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -106.12 101.33 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.595 HG22 ' CE1' ' A' ' 30' ' ' HIS . 10.9 t -72.23 120.9 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 mmt -93.7 153.6 41.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.05 26.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.95 31.26 2.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -155.59 146.44 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 116.25 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' CE ' ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -143.33 178.37 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.684 HD11 ' HA2' ' A' ' 44' ' ' GLY . 7.4 mt -134.57 155.05 51.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' HG3' ' CE ' ' A' ' 21' ' ' LYS . 26.5 mt-10 -150.43 115.28 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -134.76 133.4 39.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.3 0.19 10.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.8 -34.16 4.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.1 mm100 -69.4 179.38 2.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.5 m -144.15 127.53 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.1 m-90 -125.5 144.75 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.595 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.9 m80 -67.96 143.98 55.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -50.58 -15.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 22.2 p-80 -109.27 -15.97 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.5 -36.95 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.656 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.8 t80 -67.44 97.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.6 mt -119.24 177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HB2' HD21 ' A' ' 43' ' ' LEU . 24.7 t -90.41 145.91 24.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.37 22.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.89 -51.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -111.72 -2.47 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 60.01 37.68 21.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -98.09 146.21 31.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.0 Cg_endo -69.72 94.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.701 HD13 ' CB ' ' A' ' 48' ' ' PHE . 32.9 mt -76.2 3.68 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.684 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.38 -17.33 39.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.8 m -121.11 -39.36 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 16.6 ptp180 -87.29 152.96 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 m -68.94 163.57 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.701 ' CB ' HD13 ' A' ' 43' ' ' LEU . 30.7 p90 -165.88 -176.97 4.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.722 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.2 t -130.51 113.53 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 102.6 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -102.41 -175.88 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.17 99.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.57 28.71 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.522 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.07 127.15 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.112 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -98.74 108.84 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 74.3 m-85 -115.51 131.24 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.586 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.16 173.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.93 -54.45 7.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.79 -51.83 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.1 m -54.47 -20.05 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.722 ' CD2' HG21 ' A' ' 49' ' ' VAL . 70.0 t80 -93.74 -53.73 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 19.0 mt-10 -67.31 -16.32 64.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -88.21 -44.59 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.71 -26.65 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.494 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 43.6 m-85 -99.54 9.62 42.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -170.62 124.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.6 t -111.6 -41.86 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 -114.68 3.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 107.35 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -128.84 92.87 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.3 t -76.16 143.4 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.494 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -143.93 108.02 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -83.11 84.17 7.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.36 -74.66 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 50.92 45.49 27.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -106.51 150.57 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.08 154.1 23.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 28' ' ' THR . 20.2 t -62.18 138.03 58.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.7 t -91.69 -10.6 39.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.72 -62.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.42 -31.9 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -14.84 41.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.59 179.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.962 0.41 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -103.2 103.66 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG22 ' CE1' ' A' ' 30' ' ' HIS . 44.7 t -74.07 119.43 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mmt -90.56 151.81 44.49 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -34.7 14.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.73 44.87 2.82 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -169.77 137.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -39.79 119.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HB2' HG11 ' A' ' 15' ' ' VAL . 30.2 pttt -149.05 176.91 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.4 mt -136.99 152.54 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -151.29 115.12 4.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -135.2 136.56 41.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.65 10.11 35.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.06 -34.36 5.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.0 mm-40 -67.38 178.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 87.4 m -144.7 126.88 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.606 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.0 m-90 -125.77 148.81 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.619 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.1 m80 -73.42 145.42 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.35 -14.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -110.49 -15.0 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.91 -40.04 11.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.2 t80 -66.28 95.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.9 mt -117.76 179.16 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' HD21 ' A' ' 43' ' ' LEU . 26.4 t -91.36 147.09 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.527 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.8 23.04 2.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -52.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.4 p -112.9 -4.31 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 63.15 37.49 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -93.46 143.77 27.17 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.529 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.79 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 48' ' ' PHE . 17.2 mt -75.43 6.13 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.487 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -34.18 -51.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -130.69 38.35 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -124.96 162.85 23.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 p -77.72 131.43 37.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.471 ' CB ' HD13 ' A' ' 43' ' ' LEU . 24.5 p90 -151.46 -177.46 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 61' ' ' TYR . 3.2 t -143.12 114.31 5.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 136.41 32.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -154.33 118.17 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mttp 47.42 43.3 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.18 -20.36 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.09 127.71 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -98.8 108.63 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 70.9 m-85 -113.05 129.29 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.594 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.26 164.06 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.32 -54.78 0.68 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.78 -52.26 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.5 m -54.14 -17.7 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.603 ' CE1' ' CE1' ' A' ' 65' ' ' PHE . 92.2 t80 -94.47 -50.54 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.97 -22.49 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -82.19 -49.14 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -60.8 -29.84 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 37.4 m-85 -96.25 16.93 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.31 164.11 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.4 m -45.47 111.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.41 123.6 12.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 146.82 61.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -159.75 106.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -117.43 108.68 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.526 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -97.91 126.02 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -106.53 172.28 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.88 85.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m -103.74 91.56 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -38.76 -76.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.07 149.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.422 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' N ' HG23 ' A' ' 15' ' ' VAL . 29.2 t -66.45 141.89 57.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.486 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.8 t -94.46 -14.98 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 -60.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.31 -33.14 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.36 -11.51 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.9 -179.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -104.73 98.54 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 30' ' ' HIS . 29.2 t -65.34 107.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.2 mtp -79.85 154.1 75.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.46 60.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.68 -45.41 3.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' ARG . 35.8 m -68.95 129.36 39.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 19.6 mtt180 -35.76 113.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -145.79 -179.58 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -137.5 150.96 47.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -149.64 116.46 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -133.75 116.44 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 -107.97 2.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.29 24.48 5.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.596 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 66.7 mt-30 -134.24 173.39 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 22' ' ' LEU . 52.1 m -144.63 132.06 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 21.9 m-90 -125.89 152.85 45.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' HG22 ' A' ' 15' ' ' VAL . 23.3 m80 -76.03 147.93 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' CD ' ' HD2' ' A' ' 20' ' ' ARG . 3.8 tt0 -53.77 -13.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -110.55 -15.07 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.0 m -92.34 -36.37 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.8 t80 -66.58 99.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 42' ' ' PRO . 13.1 mt -123.94 176.2 6.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 25.7 t -88.75 145.47 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.45 22.69 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.86 -53.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -111.18 -3.88 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.89 37.68 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -94.08 143.95 27.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.0 Cg_endo -69.79 90.3 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.507 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.0 mt -73.83 3.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -37.68 -50.43 1.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 m -124.28 35.65 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -128.08 163.22 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 m -82.55 132.23 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.0 p90 -150.54 -177.24 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.783 HG21 ' CD2' ' A' ' 61' ' ' TYR . 5.3 t -133.21 115.13 13.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . 15.4 t0 -105.0 -178.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -42.25 96.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 44.19 27.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.88 128.84 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 111.06 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -100.8 108.37 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.5 m-85 -115.31 131.12 57.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.8 166.65 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.592 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -34.97 -55.04 1.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.0 Cg_endo -69.83 -53.08 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.5 m -53.94 -18.87 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.783 ' CD2' HG21 ' A' ' 49' ' ' VAL . 69.2 t80 -94.0 -54.27 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.16 -25.35 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -79.96 -45.04 19.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -64.25 -38.44 91.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 16.4 m-85 -86.25 17.31 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.23 -179.94 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.6 m -120.19 157.34 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.06 170.75 26.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.79 19.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.362 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 m -81.61 127.83 33.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 p -103.06 -51.02 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -141.09 173.51 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -115.19 112.81 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.58 101.7 0.17 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -82.73 42.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 p -175.13 131.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.17 152.44 23.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.516 ' N ' HG23 ' A' ' 15' ' ' VAL . 31.7 t -65.1 140.13 58.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.47 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.5 t -92.44 -12.59 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.93 -62.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -93.35 -33.34 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.61 -14.8 35.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.47 -178.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.419 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.6 m -102.59 101.79 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.527 HG22 ' CE1' ' A' ' 30' ' ' HIS . 21.8 t -68.6 98.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.6 mmt -67.35 148.49 98.71 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.522 0.677 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -35.05 13.34 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.56 42.55 2.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -165.94 135.77 3.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -38.45 121.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' HB2' HG11 ' A' ' 15' ' ' VAL . 36.9 pttt -148.46 173.34 13.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -131.77 151.5 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -150.03 115.43 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.4 m-85 -134.5 137.62 44.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.27 6.6 7.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.69 -36.75 3.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.603 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 22.6 mm-40 -66.36 177.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.5 m -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.603 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.6 m-90 -126.04 149.7 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.1 m80 -72.66 145.35 47.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -51.7 -14.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.32 -15.43 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -91.17 -38.26 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.4 t80 -65.53 98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 42' ' ' PRO . 8.5 mt -118.03 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 21.8 t -90.83 148.01 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.543 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -87.34 22.66 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -52.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.35 -2.72 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 59.2 38.39 23.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -98.89 148.7 34.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.81 96.43 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.315 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.679 HD13 ' CB ' ' A' ' 48' ' ' PHE . 49.0 mt -77.73 2.74 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.555 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -65.03 -4.77 16.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.3 p -123.55 -41.58 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HG3' ' HA ' ' A' ' 43' ' ' LEU . 4.2 ptt-85 -96.58 159.86 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -69.72 170.03 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.679 ' CB ' HD13 ' A' ' 43' ' ' LEU . 43.4 p90 -167.7 -178.21 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.9 t -136.03 115.02 10.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.85 58.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -162.04 114.79 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 46.92 45.4 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.31 -20.9 5.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.86 129.37 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.1 m80 -101.14 108.47 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.8 m-85 -111.36 129.67 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.602 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.51 165.38 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.55 -54.53 0.94 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.714 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.602 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.82 -52.45 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m -54.23 -18.74 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.705 ' CE2' HG11 ' A' ' 49' ' ' VAL . 70.6 t80 -93.87 -54.09 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 50.9 mt-10 -63.44 -22.13 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -80.04 -48.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 5.3 ptmt -62.88 -31.38 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 40.6 m-85 -99.03 15.63 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -83.72 75.45 10.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 t 39.53 42.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.72 127.01 7.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.5 t -132.71 146.17 51.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -103.96 -43.14 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.47 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' THR . 34.8 t -65.87 137.65 57.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.482 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 4.6 t -91.95 -10.18 40.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.818 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.57 -60.55 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -95.99 -32.31 12.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.29 -14.44 39.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.29 178.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.4 m -101.38 107.55 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 21' ' ' LYS . 29.4 t -73.89 116.12 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.9 mmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB2' HG11 ' A' ' 15' ' ' VAL . 15.1 pttm -136.79 175.48 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -135.28 152.53 51.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.502 ' HG2' HG23 ' A' ' 28' ' ' THR . 32.7 mt-10 -151.95 115.81 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -134.45 141.83 46.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.92 10.01 6.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.89 -35.19 4.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.2 mm100 -67.83 176.88 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HG2' ' A' ' 23' ' ' GLU . 78.5 m -144.92 127.34 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.2 m-90 -125.76 150.27 47.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CE1' HG22 ' A' ' 15' ' ' VAL . 17.6 m80 -73.21 146.05 45.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.93 -14.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.1 -14.94 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.75 -39.78 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -65.73 96.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.2 mt -117.54 178.94 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 22.4 t -91.72 143.16 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -84.11 22.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.6 -52.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.5 -4.25 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 61.62 38.64 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -98.5 145.81 30.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.595 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.4 Cg_endo -69.8 93.14 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.718 HD13 ' CB ' ' A' ' 48' ' ' PHE . 41.8 mt -72.99 2.74 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.442 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -61.76 -6.83 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 t -131.56 -34.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.878 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 3.2 ptp180 -94.06 154.25 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -68.6 164.15 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.718 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.4 p90 -166.59 -177.2 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.693 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.2 t -132.09 113.65 14.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 106.15 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' GLY . 23.9 t0 -106.99 -174.91 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -43.35 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 43.22 27.77 0.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.02 128.53 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -99.51 108.59 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.1 m-85 -116.38 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.06 173.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.14 -54.64 5.61 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -52.56 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.4 m -53.8 -19.4 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.693 ' CD2' HG21 ' A' ' 49' ' ' VAL . 70.6 t80 -93.81 -51.33 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.62 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -83.37 -44.7 14.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.8 ptmt -69.4 -30.48 68.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 27.7 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.1 t -63.69 141.32 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.469 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 11.5 t -95.3 -12.75 25.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.46 -59.62 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -96.63 -30.68 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.31 -15.39 42.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.5 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -107.12 108.72 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.711 HG22 ' NE2' ' A' ' 30' ' ' HIS . 58.8 t -79.23 113.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.841 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HB2' HG11 ' A' ' 15' ' ' VAL . 36.3 pttt -160.67 175.67 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.7 mt -132.07 151.24 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -147.51 115.94 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 13.4 m-85 -134.14 123.32 24.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.51 -97.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.41 7.95 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.591 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.1 mm-40 -115.9 178.52 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 22' ' ' LEU . 55.5 m -145.0 132.13 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.7 m-90 -126.28 150.63 48.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.711 ' NE2' HG22 ' A' ' 15' ' ' VAL . 25.8 m80 -75.52 147.36 39.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.99 -13.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -110.37 -13.64 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -93.49 -38.95 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 35.0 t80 -68.75 99.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.62 179.26 4.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' HB2' HD21 ' A' ' 43' ' ' LEU . 21.9 t -91.21 144.65 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -85.67 23.49 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.93 -48.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.08 -5.15 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 62.78 37.94 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -98.92 145.52 30.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.548 0.689 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 94.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.714 HD13 ' CB ' ' A' ' 48' ' ' PHE . 40.8 mt -74.47 4.05 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.588 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -64.48 -4.86 14.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 p -123.86 -42.46 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HG3' ' HA ' ' A' ' 43' ' ' LEU . 4.8 ptt-85 -94.33 167.35 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 m -79.34 168.45 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.714 ' CB ' HD13 ' A' ' 43' ' ' LEU . 40.0 p90 -165.56 -176.97 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.818 HG11 ' CE2' ' A' ' 61' ' ' TYR . 3.9 t -130.41 114.42 17.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.728 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 109.35 2.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -111.64 -178.43 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -40.34 99.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.86 29.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.11 127.23 17.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -99.29 109.03 21.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.404 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 78.4 m-85 -113.25 132.17 55.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.594 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.64 170.46 2.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.11 -54.67 3.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.69 -52.99 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.66 -18.92 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.818 ' CE2' HG11 ' A' ' 49' ' ' VAL . 66.2 t80 -94.16 -54.16 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -62.96 -25.13 68.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -73.44 -49.66 25.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.55 -40.56 93.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 27.3 t -64.84 139.61 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.9 t -94.33 -8.23 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.24 -55.86 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -98.01 -33.85 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.11 9.24 45.61 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.98 -175.27 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.6 m -101.84 104.21 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.511 HG22 ' CE1' ' A' ' 30' ' ' HIS . 42.8 t -75.43 106.22 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.7 mmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.85 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -139.53 179.81 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -140.21 151.11 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 28' ' ' THR . 29.5 mt-10 -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -134.54 133.31 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.42 25.02 64.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.08 -33.85 5.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.591 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -68.62 171.97 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.469 HG23 ' HG2' ' A' ' 23' ' ' GLU . 87.0 m -144.54 126.86 15.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.05 149.07 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.511 ' CE1' HG22 ' A' ' 15' ' ' VAL . 27.3 m80 -71.93 145.87 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -52.39 -13.93 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -110.38 -14.29 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.2 m -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.5 t80 -66.36 97.58 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.65 HD23 ' HA ' ' A' ' 42' ' ' PRO . 13.0 mt -121.71 179.6 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 30.4 t -91.26 148.7 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.531 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -89.66 23.04 2.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.15 -48.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -115.3 -3.67 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 61.84 35.75 16.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -91.92 143.71 28.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.65 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.73 91.49 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.541 HD13 ' CB ' ' A' ' 48' ' ' PHE . 19.5 mt -74.41 4.33 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.561 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -42.26 -47.67 5.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 p -124.63 33.7 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 110.923 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -128.87 164.23 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 m -84.26 132.63 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.541 ' CB ' HD13 ' A' ' 43' ' ' LEU . 28.8 p90 -150.91 -177.25 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.89 HG11 ' CE2' ' A' ' 61' ' ' TYR . 4.4 t -133.45 114.72 13.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 103.57 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -103.26 -174.77 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.74 98.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.67 27.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.37 128.36 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.428 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 24.3 m170 -100.7 108.62 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.2 m-85 -114.72 131.13 56.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.68 166.0 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.54 -55.53 0.69 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.77 -53.61 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.2 m -53.97 -19.07 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.89 ' CE2' HG11 ' A' ' 49' ' ' VAL . 72.8 t80 -93.82 -53.85 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.37 -19.81 64.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.31 -44.14 20.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -30.98 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.64 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 15' ' ' VAL . 24.4 t -66.75 139.63 57.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.9 t -93.39 -13.47 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.02 -60.87 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -94.65 -32.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.58 -14.08 38.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.25 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.7 m -107.39 99.6 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.568 HG12 ' HD3' ' A' ' 21' ' ' LYS . 23.2 t -64.42 116.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.578 0.704 . . . . 0.0 110.872 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.897 0.38 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HD3' HG12 ' A' ' 15' ' ' VAL . 36.8 pttt -143.4 179.58 7.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.712 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.98 152.07 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.968 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.89 116.16 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 12.9 m-85 -133.78 122.36 23.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -99.64 1.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.53 16.77 3.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.594 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.3 mm-40 -125.25 177.9 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' LEU . 92.1 m -145.02 131.93 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.4 m-90 -126.25 150.56 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.469 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.7 m80 -73.99 147.69 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -53.02 -14.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -110.23 -14.96 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.39 -37.57 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.712 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 27.6 t80 -68.01 99.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.588 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.0 mt -122.36 177.79 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 30.4 t -88.1 149.45 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -90.54 23.05 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.9 p -112.1 -5.26 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.9 37.07 9.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -93.72 143.39 26.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.588 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.1 Cg_endo -69.79 93.85 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.68 HD13 ' CB ' ' A' ' 48' ' ' PHE . 20.2 mt -77.5 4.49 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -36.97 -42.32 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -121.32 -30.13 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.347 . . . . 0.0 110.809 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -64.14 159.81 19.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 m -81.65 145.67 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.68 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.4 p90 -156.56 -177.26 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.918 HG11 ' CE2' ' A' ' 61' ' ' TYR . 4.6 t -133.64 116.1 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.695 0.76 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 101.33 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -101.61 -174.72 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 97.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.17 28.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.98 132.55 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -102.42 108.29 19.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.8 m-85 -115.64 132.15 56.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.579 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.89 168.59 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -36.37 -55.2 1.46 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.654 0.74 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.78 -53.46 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.4 m -53.93 -19.53 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.918 ' CE2' HG11 ' A' ' 49' ' ' VAL . 71.6 t80 -94.08 -51.43 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.41 -18.4 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.24 -46.63 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -67.71 -29.28 68.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 51.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 15' ' ' VAL . 22.9 t -63.28 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 14.6 t -92.27 -10.33 38.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.84 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.82 -31.69 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.42 -13.41 47.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -54.22 177.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 m -101.56 98.18 8.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.455 HG21 HG22 ' A' ' 28' ' ' THR . 40.5 t -59.42 110.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.2 mmm . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HB3' ' CD ' ' A' ' 31' ' ' GLU . 35.0 mmt-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -140.63 177.33 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.688 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -139.46 151.46 46.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HG2' HG23 ' A' ' 28' ' ' THR . 70.9 mt-10 -151.49 115.58 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -134.68 141.91 46.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 9.02 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -34.25 5.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.601 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.0 mm-40 -68.58 177.84 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.455 HG22 HG21 ' A' ' 15' ' ' VAL . 90.0 m -144.91 127.96 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.601 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.5 m-90 -125.98 150.55 47.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -73.84 145.23 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 5.6 tt0 -51.36 -14.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -110.23 -15.1 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.18 -37.1 13.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.688 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.5 t80 -66.25 98.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.4 mt -119.06 177.83 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 23.1 t -89.63 146.14 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -86.45 22.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.51 -53.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -110.1 -2.74 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 60.66 38.1 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -97.44 146.77 31.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.529 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.9 Cg_endo -69.72 95.49 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.707 HD13 ' CB ' ' A' ' 48' ' ' PHE . 34.9 mt -78.22 5.15 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.494 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -62.0 -10.57 27.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -127.05 -38.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -89.63 151.21 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -64.41 166.97 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.707 ' CB ' HD13 ' A' ' 43' ' ' LEU . 41.7 p90 -167.14 -176.96 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.788 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.6 t -139.29 114.0 8.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.36 47.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -159.86 116.86 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttm 47.38 43.74 15.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -20.31 5.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.53 126.2 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.0 m80 -97.37 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 71.4 m-85 -112.79 130.18 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.584 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.69 166.93 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.73 -55.26 0.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -53.37 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.3 m -53.75 -18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE2' HG11 ' A' ' 49' ' ' VAL . 74.8 t80 -94.01 -54.14 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -61.9 -25.92 67.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -76.39 -49.06 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -62.24 -35.42 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' N ' HG23 ' A' ' 15' ' ' VAL . 34.5 t -64.69 136.53 57.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.478 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.6 t -91.16 -8.83 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.01 -60.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -95.05 -32.02 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.31 -14.24 39.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -53.09 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -105.16 99.22 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.559 HG21 HG22 ' A' ' 28' ' ' THR . 47.6 t -61.35 99.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.892 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -144.53 178.27 8.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -138.61 151.6 47.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -150.58 115.5 5.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -134.98 141.96 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.73 8.47 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.07 -33.97 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.6 mm-40 -70.0 178.5 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.559 HG22 HG21 ' A' ' 15' ' ' VAL . 93.2 m -144.7 128.63 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.7 m-90 -125.79 149.23 48.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -72.53 144.89 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.2 -15.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -109.06 -16.95 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 m -89.16 -37.48 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.695 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 20.2 t80 -66.84 98.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.4 mt -119.9 178.75 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.434 ' HB2' HD21 ' A' ' 43' ' ' LEU . 26.4 t -91.5 145.86 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.05 23.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -50.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -113.2 -3.7 13.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 60.97 39.39 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -99.88 146.2 31.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.467 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.72 96.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.73 2.286 . . . . 0.0 112.348 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.705 HD13 ' CB ' ' A' ' 48' ' ' PHE . 29.0 mt -77.94 3.97 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.488 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.5 -8.98 7.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -128.62 -38.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 8.0 ptp85 -90.4 151.4 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -65.22 167.24 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.705 ' CB ' HD13 ' A' ' 43' ' ' LEU . 40.2 p90 -167.29 -177.11 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.732 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.5 t -140.03 112.65 7.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.38 53.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -161.09 118.89 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 48.43 44.25 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.61 -18.79 6.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.61 138.66 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.4 m80 -108.46 108.32 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 70.8 m-85 -112.8 129.69 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.52 166.73 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.57 -55.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.77 -52.83 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' HB2' ' HG ' ' A' ' 57' ' ' CYS . 10.4 m -54.23 -18.37 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.732 ' CE2' HG11 ' A' ' 49' ' ' VAL . 68.1 t80 -94.22 -51.5 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -64.16 -25.87 68.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -72.65 -50.12 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -64.03 -42.12 97.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.543 ' N ' HG23 ' A' ' 15' ' ' VAL . 21.7 t -60.29 142.29 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.48 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 37.3 t -94.63 -14.27 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.21 -61.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.93 -33.79 13.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.47 -13.57 39.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.75 176.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.3 m -98.08 100.07 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG12 ' HD3' ' A' ' 21' ' ' LYS . 39.1 t -67.44 114.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 mmm . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.868 0.366 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.678 ' HD3' HG12 ' A' ' 15' ' ' VAL . 37.3 pttt -149.13 -178.53 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.702 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.3 mt -138.19 155.17 48.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -151.54 115.73 5.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -134.16 122.25 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.76 -100.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.83 16.79 4.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.471 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.604 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 15.8 mm-40 -123.55 176.21 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 22' ' ' LEU . 73.2 m -144.54 130.07 18.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.604 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.7 m-90 -126.16 150.62 48.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' A' ' 15' ' ' VAL . 19.5 m80 -75.17 146.78 40.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -53.28 -14.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 28.0 p-80 -110.85 -12.36 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.59 -40.17 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.702 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 33.5 t80 -66.18 93.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 42' ' ' PRO . 8.3 mt -112.64 177.57 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.8 t -88.75 145.44 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.5 m -86.3 24.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.38 -50.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.8 p -115.67 -1.83 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 61.85 35.82 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.39 145.57 31.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.1 Cg_endo -69.85 95.14 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.295 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.573 HD13 ' CB ' ' A' ' 48' ' ' PHE . 22.3 mt -81.87 12.9 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.594 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -68.29 -9.06 56.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 m -130.74 -38.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 15.7 ptm180 -85.76 163.56 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -77.0 168.36 20.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CB ' HD13 ' A' ' 43' ' ' LEU . 44.9 p90 -167.52 -176.87 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 2.5 t -139.34 112.6 7.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.71 48.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -161.35 120.16 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mttm 46.46 42.75 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.18 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.3 124.3 29.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.326 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -96.27 108.21 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.408 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 78.8 m-85 -111.43 132.77 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.584 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.41 172.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.36 -54.55 6.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 -53.05 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.1 m -53.59 -17.97 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.689 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 88.6 t80 -94.73 -52.2 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.16 -22.84 67.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.429 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -80.06 -47.34 15.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -64.25 -30.24 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 21.4 t -63.18 145.5 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.489 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 36.0 t -95.21 -14.53 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.0 -63.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.62 -32.34 16.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.11 53.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.72 175.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -99.66 102.45 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.601 HG22 ' CE1' ' A' ' 30' ' ' HIS . 5.4 t -69.96 122.17 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.348 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.541 ' HB2' HG11 ' A' ' 15' ' ' VAL . 16.5 pttm -152.86 171.97 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -126.83 149.97 49.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 28' ' ' THR . 15.9 mt-10 -150.49 115.64 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 16.9 m-85 -134.84 138.46 44.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.1 6.57 7.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.1 -37.34 3.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.2 mt-30 -67.2 176.29 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 23' ' ' GLU . 94.1 m -144.99 128.18 16.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.2 m-90 -126.32 144.38 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.601 ' CE1' HG22 ' A' ' 15' ' ' VAL . 22.9 m80 -66.67 146.0 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.1 -13.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.74 -12.17 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 m -96.11 -37.02 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.9 t80 -65.57 97.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.0 mt -119.61 177.04 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.426 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.7 t -87.89 144.82 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -86.43 24.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.88 -50.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.03 -3.55 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 63.27 36.92 11.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -93.39 145.47 30.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.516 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.82 96.15 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.592 HD13 ' CB ' ' A' ' 48' ' ' PHE . 20.3 mt -82.47 6.16 18.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -44.9 -39.22 6.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.9 p -117.72 -29.62 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -72.71 162.29 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.05 160.89 25.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CB ' HD13 ' A' ' 43' ' ' LEU . 39.3 p90 -167.34 -177.35 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.797 HG11 ' CE2' ' A' ' 61' ' ' TYR . 3.4 t -141.51 117.71 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 135.29 30.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -155.38 116.65 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 47.42 42.35 14.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.04 -20.31 5.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.1 125.03 30.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -95.87 107.86 20.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.401 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 76.6 m-85 -111.81 131.77 55.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.585 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.79 164.15 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.591 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.1 -54.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.7 Cg_endo -69.79 -53.92 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.502 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 8.2 m -53.3 -18.29 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.797 ' CE2' HG11 ' A' ' 49' ' ' VAL . 73.8 t80 -94.11 -53.66 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.1 -24.93 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.42 -49.78 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -62.48 -38.15 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' N ' HG23 ' A' ' 15' ' ' VAL . 31.9 t -63.48 143.78 57.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.481 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.8 t -95.38 -13.7 24.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.87 -61.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -92.98 -33.33 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.52 -9.87 45.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.63 -179.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.2 m -101.83 101.24 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.538 HG21 HG22 ' A' ' 28' ' ' THR . 40.0 t -63.38 110.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 mtp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.503 0.668 . . . . 0.0 110.902 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HB2' HG11 ' A' ' 15' ' ' VAL . 17.1 pttm -141.1 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -136.22 150.35 48.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -148.52 114.7 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.401 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 17.5 m-85 -135.68 140.88 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.03 6.97 7.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.06 -34.32 5.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.505 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.2 mt-30 -71.37 179.82 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.538 HG22 HG21 ' A' ' 15' ' ' VAL . 96.3 m -144.79 130.01 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.9 m-90 -126.43 145.9 50.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 23.9 m80 -69.05 144.24 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -50.56 -15.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.69 -16.71 14.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 m -89.68 -38.53 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 25.1 t80 -67.04 97.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.6 mt -119.0 176.15 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.489 ' HB2' HD21 ' A' ' 43' ' ' LEU . 24.3 t -88.01 147.34 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.512 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -88.44 23.4 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -50.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 p -112.66 -4.91 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 62.37 38.84 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -99.33 147.99 34.05 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.66 0.743 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.481 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.76 97.01 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' CB ' ' A' ' 48' ' ' PHE . 30.8 mt -79.45 1.64 24.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.664 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.91 -9.14 9.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -126.03 -40.0 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 9.4 ptp180 -90.02 155.42 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.6 168.06 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CB ' HD13 ' A' ' 43' ' ' LEU . 39.5 p90 -167.54 -177.38 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.755 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.9 t -137.52 113.62 9.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 140.38 42.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.36 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -158.82 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt 48.31 43.35 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.94 -18.56 5.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.47 138.01 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -107.05 108.51 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.512 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 71.8 m-85 -113.39 130.12 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.97 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.94 165.06 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -33.9 -54.91 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.71 -52.47 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 6.9 m -54.28 -18.58 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.755 ' CE2' HG11 ' A' ' 49' ' ' VAL . 69.1 t80 -94.22 -52.01 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -72.98 -46.71 50.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -66.94 -36.98 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 37.6 t -65.75 135.24 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.495 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.9 t -90.73 -9.3 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.86 -58.52 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.44 -31.83 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.37 -15.34 35.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.81 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.8 m -106.98 103.32 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.689 HG22 ' NE2' ' A' ' 30' ' ' HIS . 59.0 t -70.84 106.25 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.844 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 8.1 mmp_? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -139.88 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -137.95 149.7 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.609 ' HG2' HG23 ' A' ' 28' ' ' THR . 38.2 mt-10 -149.25 115.46 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -134.71 140.85 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.77 7.23 7.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.07 -33.87 5.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.6 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.3 mm100 -67.67 178.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.609 HG23 ' HG2' ' A' ' 23' ' ' GLU . 45.8 m -145.05 126.2 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.13 148.82 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.689 ' NE2' HG22 ' A' ' 15' ' ' VAL . 29.4 m80 -74.28 146.71 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.82 -13.61 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -110.51 -13.37 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.8 m -94.44 -40.89 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 31.4 t80 -64.46 95.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 42' ' ' PRO . 11.7 mt -117.15 176.89 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.428 ' HB2' HD21 ' A' ' 43' ' ' LEU . 18.9 t -89.23 143.8 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 75.0 m -84.81 24.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.27 -50.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.6 p -114.75 -3.06 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 62.15 36.44 15.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -93.25 144.19 27.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.594 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.1 Cg_endo -69.77 92.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.737 2.291 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.592 HD13 ' CB ' ' A' ' 48' ' ' PHE . 22.6 mt -76.86 7.77 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.441 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -39.48 -59.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 p -116.71 29.39 7.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH2' ' CD2' ' A' ' 43' ' ' LEU . 11.2 mtm105 -118.68 166.14 13.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 m -86.55 134.1 33.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CB ' HD13 ' A' ' 43' ' ' LEU . 32.6 p90 -151.15 -177.11 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.677 HG21 ' CD2' ' A' ' 61' ' ' TYR . 5.2 t -133.52 115.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 103.08 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -104.31 -176.25 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -43.9 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.37 28.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.76 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -102.78 108.26 19.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 83.6 m-85 -114.57 132.56 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.54 171.17 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -39.86 -54.66 4.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.28 -18.98 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.677 ' CD2' HG21 ' A' ' 49' ' ' VAL . 73.4 t80 -93.86 -54.99 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.71 -25.08 66.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -79.48 -45.96 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -63.06 -36.95 85.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 28' ' ' THR . 17.4 t -65.26 140.26 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.3 t -93.18 -13.03 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.8 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.74 -33.38 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -13.34 41.7 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.96 176.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 m -99.7 101.3 12.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' HB2' ' A' ' 21' ' ' LYS . 92.2 t -67.25 114.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 mmm . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' HB2' HG11 ' A' ' 15' ' ' VAL . 42.8 pttt -144.95 179.8 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.717 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -140.54 151.83 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -150.96 115.16 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -134.08 134.96 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.19 -47.42 1.65 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.07 -20.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 mt-30 -86.51 -176.31 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 97.3 m -144.65 128.18 17.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 25.1 m-90 -125.73 142.5 51.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -63.01 144.09 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.76 -13.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -111.05 -14.17 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.7 m -93.07 -36.42 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.717 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 30.3 t80 -65.14 96.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 42' ' ' PRO . 6.3 mt -117.35 175.8 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.423 ' HB2' HD21 ' A' ' 43' ' ' LEU . 15.7 t -88.07 142.37 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.0 m -83.34 23.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -50.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.1 p -114.99 -2.84 12.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 62.11 36.84 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -92.65 143.55 27.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.4 Cg_endo -69.72 90.63 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.644 2.23 . . . . 0.0 112.376 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.8 mt -75.55 6.89 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.486 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -38.66 -55.99 2.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.0 p -120.86 32.73 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -121.22 167.99 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 m -87.54 133.29 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.509 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.5 p90 -151.08 -176.78 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.877 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.3 t -133.63 115.1 13.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.01 -174.68 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -44.99 99.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.11 28.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.11 130.26 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -102.83 108.79 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.02 132.81 56.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.573 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.02 172.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -40.98 -54.78 5.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.661 0.743 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -53.52 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 15.8 m -53.5 -18.98 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.877 ' CD2' HG21 ' A' ' 49' ' ' VAL . 68.0 t80 -93.98 -53.13 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -64.43 -23.02 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -82.05 -49.03 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.2 ptmt -61.47 -31.23 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 43.0 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 35.2 t -68.06 132.61 47.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.479 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 12.8 t -91.08 -3.47 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.27 -49.31 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -105.83 -30.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.01 49.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.76 -177.32 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 m -104.3 101.54 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 30' ' ' HIS . 24.4 t -75.44 119.58 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.5 mmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HB2' HG11 ' A' ' 15' ' ' VAL . 51.9 pttt -150.76 176.29 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.52 151.59 51.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -149.49 115.14 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -135.4 128.57 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.71 23.1 70.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.12 -34.48 5.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.587 ' CB ' ' CH2' ' A' ' 29' ' ' TRP . 16.4 mt-30 -67.19 173.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.3 m -145.03 125.95 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' CB ' ' A' ' 27' ' ' GLN . 28.1 m-90 -125.71 149.67 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 15' ' ' VAL . 26.5 m80 -73.47 145.74 45.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.9 -15.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -109.17 -15.92 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 m -90.31 -41.59 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -65.37 95.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.9 mt -118.61 176.84 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.446 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.0 t -88.3 146.29 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 m -88.11 24.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -49.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.5 p -115.16 -4.18 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.64 36.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -92.6 145.32 30.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.609 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.78 93.81 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.489 HD13 ' CB ' ' A' ' 48' ' ' PHE . 24.7 mt -78.12 6.68 7.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.477 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -35.87 -57.57 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.4 p -123.93 39.62 3.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -126.75 165.8 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 p -80.88 136.07 36.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.489 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.2 p90 -155.1 -177.63 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 61' ' ' TYR . 3.2 t -143.26 114.35 5.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 137.8 36.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -155.11 115.97 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 47.3 44.9 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.17 -20.82 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.33 124.12 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -97.92 108.08 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 77.9 m-85 -111.67 130.91 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.598 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -63.07 163.68 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.36 -54.66 0.69 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.72 -53.02 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m -53.33 -18.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 88.2 t80 -94.04 -56.95 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.14 -18.68 61.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -84.61 -45.36 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 5.5 ptmm? -66.98 -28.13 68.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.3 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' THR . 40.6 t -72.67 134.51 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 5.9 t -91.3 -9.25 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.38 -57.8 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.15 -27.99 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.74 -14.79 56.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.11 177.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -105.26 98.94 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.589 HG22 ' CE1' ' A' ' 30' ' ' HIS . 46.3 t -64.35 107.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.87 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HB2' HG11 ' A' ' 15' ' ' VAL . 60.8 pttt -143.78 177.32 8.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.711 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -138.27 154.96 49.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -153.55 115.25 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.5 m-85 -134.39 133.61 40.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 -49.56 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.23 -21.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 12.0 mm100 -86.08 -176.99 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 22' ' ' LEU . 91.1 m -144.82 128.9 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.586 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.3 m-90 -125.85 141.13 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.589 ' CE1' HG22 ' A' ' 15' ' ' VAL . 20.0 m80 -61.86 143.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -13.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -109.86 -14.72 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 m -93.03 -38.02 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.711 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -63.08 97.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.1 mt -118.48 176.8 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.481 ' HB2' HD21 ' A' ' 43' ' ' LEU . 22.6 t -88.07 145.41 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -87.3 24.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.43 -48.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.93 -5.35 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 63.18 37.41 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -97.05 148.36 34.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.6 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.78 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.388 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 36' ' ' CYS . 29.7 mt -81.95 5.1 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.6 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -62.79 -6.82 13.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -130.49 -34.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 13.7 ptp180 -94.04 151.23 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 m -65.14 169.27 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CB ' HD13 ' A' ' 43' ' ' LEU . 44.6 p90 -167.82 -176.88 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.545 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.7 t -139.07 113.14 8.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.73 45.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.285 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -160.91 120.94 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 46.24 42.29 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.99 -21.44 4.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.17 125.17 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -96.49 108.02 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.405 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 79.6 m-85 -111.0 132.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.954 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.48 172.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -41.3 -54.39 6.08 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.64 0.734 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.71 -52.59 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.6 m -53.58 -18.97 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.622 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 78.6 t80 -93.68 -56.93 2.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.04 -24.11 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -78.41 -50.01 12.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -62.85 -27.67 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.9 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 34.7 t -66.38 135.99 55.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.496 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 16.1 t -90.29 -8.86 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.11 -61.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.62 -31.87 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.63 -13.92 42.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.31 179.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.6 m -104.42 105.81 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.679 HG22 ' NE2' ' A' ' 30' ' ' HIS . 39.1 t -74.24 111.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -143.67 177.01 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -136.77 149.23 47.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HG2' HG23 ' A' ' 28' ' ' THR . 35.2 mt-10 -149.86 115.66 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -135.17 136.9 42.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.44 15.14 44.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.54 -34.13 5.95 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.587 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mm-40 -68.17 174.28 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -143.91 126.24 15.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.6 m-90 -125.53 148.34 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.679 ' NE2' HG22 ' A' ' 15' ' ' VAL . 28.3 m80 -72.73 146.33 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.8 -13.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -109.97 -13.91 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.9 -41.63 9.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -63.56 98.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.6 mt -120.93 177.78 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.404 ' HB2' HD21 ' A' ' 43' ' ' LEU . 18.7 t -88.28 145.15 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -85.89 23.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.59 -53.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.46 -3.46 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 62.92 36.7 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -92.17 145.07 30.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.605 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.2 Cg_endo -69.77 92.58 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.568 HD13 ' CB ' ' A' ' 48' ' ' PHE . 26.1 mt -77.34 4.4 10.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -34.06 -57.58 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.1 p -123.21 38.15 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -125.12 169.8 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 p -84.21 137.29 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.2 p90 -156.41 -178.07 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 3.4 t -142.63 115.8 6.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.731 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.56 33.31 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -153.95 116.59 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.63 45.59 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.41 -19.78 5.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.47 134.81 35.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -106.19 107.87 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 77.4 m-85 -112.01 131.37 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.603 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -63.13 163.77 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.598 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.71 -54.49 0.76 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.3 Cg_endo -69.78 -53.13 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.4 m -53.18 -18.94 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.453 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 88.8 t80 -93.72 -53.92 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.86 -24.82 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -81.66 -44.72 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -63.6 -37.68 88.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' VAL . 29.0 t -67.61 138.75 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 3.1 t -91.6 -13.07 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.23 -60.84 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -94.48 -36.15 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.69 34.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.67 178.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.7 m -99.71 102.12 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.492 HG22 ' CE1' ' A' ' 30' ' ' HIS . 20.6 t -66.51 120.18 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -141.52 177.89 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.706 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -132.83 150.23 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -150.32 115.51 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.05 131.6 37.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.85 14.95 59.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.52 -35.4 5.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 31.2 mt-30 -66.9 174.55 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 70.9 m -144.58 127.06 15.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.595 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.0 m-90 -125.83 147.57 49.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.492 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.9 m80 -70.78 145.08 50.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.16 -15.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -109.22 -15.78 14.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.71 -39.51 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.706 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 24.0 t80 -64.62 98.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.5 mt -119.27 179.44 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 24.8 t -89.97 148.9 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.523 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -89.19 22.9 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.01 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.8 -4.44 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.15 37.24 11.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -95.74 145.57 29.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.572 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.8 Cg_endo -69.77 96.09 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.795 HD13 ' CB ' ' A' ' 48' ' ' PHE . 29.9 mt -78.91 5.18 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.591 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -64.18 -11.48 46.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 t -124.94 -35.63 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 4.1 ptm85 -93.44 164.02 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -75.35 167.46 21.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.795 ' CB ' HD13 ' A' ' 43' ' ' LEU . 36.4 p90 -167.29 -176.89 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.713 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 2.7 t -139.34 115.23 8.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 141.12 44.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -157.35 111.92 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm 48.13 45.83 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.73 -19.22 6.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.48 124.34 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -96.55 107.87 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.3 m-85 -113.6 131.47 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.5 p -62.6 171.38 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.597 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -39.82 -54.55 4.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.82 -52.49 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.478 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.6 m -54.14 -19.23 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.713 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 89.0 t80 -94.0 -50.86 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -69.29 -16.93 63.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -88.48 -40.48 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.71 -35.38 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 30.2 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.0 t -70.69 135.6 48.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.347 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 7.6 t -90.63 -14.05 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -59.33 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.22 -35.24 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.98 -12.46 31.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.67 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.3 m -107.9 105.8 15.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.129 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 30' ' ' HIS . 33.5 t -72.76 125.95 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HB2' HG11 ' A' ' 15' ' ' VAL . 15.5 pttp -151.38 176.24 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.7 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -132.99 151.5 52.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HG2' HG23 ' A' ' 28' ' ' THR . 44.5 mt-10 -149.55 116.09 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.3 m-85 -133.47 130.97 39.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.54 -87.97 0.52 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.34 9.5 0.94 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 12.4 mm100 -116.85 -179.78 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' LEU . 85.1 m -144.87 131.04 19.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.9 m-90 -125.59 151.54 46.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.642 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.4 m80 -74.57 146.42 42.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.4 -14.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -110.47 -14.2 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 m -92.14 -37.47 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.7 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.4 t80 -67.59 98.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.5 mt -120.47 178.51 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 24.0 t -91.54 144.53 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -85.0 22.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.9 -53.32 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -110.6 -2.52 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 59.79 38.63 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -97.48 145.88 30.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.52 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.84 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.736 HD13 ' CB ' ' A' ' 48' ' ' PHE . 35.7 mt -73.17 1.81 8.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.669 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -60.86 -10.25 18.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.4 m -126.29 -35.88 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 10.3 ptp180 -93.68 157.62 16.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -71.27 164.89 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.736 ' CB ' HD13 ' A' ' 43' ' ' LEU . 28.6 p90 -166.94 -177.28 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.817 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.1 t -131.35 113.49 15.72 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 102.79 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -102.82 -175.24 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -43.3 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 29.23 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.15 131.12 23.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.35 108.63 20.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.0 m-85 -115.65 131.34 56.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.34 171.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.33 -54.85 3.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.75 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.7 m -53.76 -19.22 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.817 ' CD2' HG21 ' A' ' 49' ' ' VAL . 64.1 t80 -93.86 -55.88 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.22 -23.38 66.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -79.6 -50.41 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.1 ptmt -61.91 -32.51 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 36.0 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' N ' HG23 ' A' ' 15' ' ' VAL . 37.1 t -69.44 134.08 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.9 t -90.11 -7.29 54.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.29 -59.06 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -97.46 -29.08 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.89 -14.89 48.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.62 -179.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -106.12 101.33 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.595 HG22 ' CE1' ' A' ' 30' ' ' HIS . 10.9 t -72.23 120.9 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 179.897 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' CE ' ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -143.33 178.37 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.684 HD11 ' HA2' ' A' ' 44' ' ' GLY . 7.4 mt -134.57 155.05 51.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.489 ' HG3' ' CE ' ' A' ' 21' ' ' LYS . 26.5 mt-10 -150.43 115.28 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -134.76 133.4 39.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.3 0.19 10.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.8 -34.16 4.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.1 mm100 -69.4 179.38 2.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.5 m -144.15 127.53 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.1 m-90 -125.5 144.75 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.595 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.9 m80 -67.96 143.98 55.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -50.58 -15.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 22.2 p-80 -109.27 -15.97 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.5 -36.95 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.656 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.8 t80 -67.44 97.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.6 mt -119.24 177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HB2' HD21 ' A' ' 43' ' ' LEU . 24.7 t -90.41 145.91 24.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.37 22.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.89 -51.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -111.72 -2.47 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 60.01 37.68 21.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -98.09 146.21 31.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.0 Cg_endo -69.72 94.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.701 HD13 ' CB ' ' A' ' 48' ' ' PHE . 32.9 mt -76.2 3.68 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.684 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.38 -17.33 39.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.8 m -121.11 -39.36 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 16.6 ptp180 -87.29 152.96 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 m -68.94 163.57 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.701 ' CB ' HD13 ' A' ' 43' ' ' LEU . 30.7 p90 -165.88 -176.97 4.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.722 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.2 t -130.51 113.53 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 102.6 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -102.41 -175.88 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.17 99.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.57 28.71 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.522 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.07 127.15 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.112 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -98.74 108.84 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 74.3 m-85 -115.51 131.24 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.586 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.16 173.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.93 -54.45 7.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.79 -51.83 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.1 m -54.47 -20.05 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.722 ' CD2' HG21 ' A' ' 49' ' ' VAL . 70.0 t80 -93.74 -53.73 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -67.31 -16.32 64.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -88.21 -44.59 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.71 -26.65 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.494 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 43.6 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 28' ' ' THR . 20.2 t -62.18 138.03 58.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.7 t -91.69 -10.6 39.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.72 -62.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.42 -31.9 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -14.84 41.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.59 179.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.962 0.41 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -103.2 103.66 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG22 ' CE1' ' A' ' 30' ' ' HIS . 44.7 t -74.07 119.43 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mmt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.918 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HB2' HG11 ' A' ' 15' ' ' VAL . 30.2 pttt -149.05 176.91 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.4 mt -136.99 152.54 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -151.29 115.12 4.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -135.2 136.56 41.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.65 10.11 35.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.06 -34.36 5.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.0 mm-40 -67.38 178.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 87.4 m -144.7 126.88 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.606 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.0 m-90 -125.77 148.81 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.619 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.1 m80 -73.42 145.42 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.35 -14.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -110.49 -15.0 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.91 -40.04 11.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.2 t80 -66.28 95.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.9 mt -117.76 179.16 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' HD21 ' A' ' 43' ' ' LEU . 26.4 t -91.36 147.09 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.527 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.8 23.04 2.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -52.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.4 p -112.9 -4.31 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 63.15 37.49 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -93.46 143.77 27.17 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.529 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.79 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 48' ' ' PHE . 17.2 mt -75.43 6.13 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.487 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -34.18 -51.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -130.69 38.35 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -124.96 162.85 23.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 p -77.72 131.43 37.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.471 ' CB ' HD13 ' A' ' 43' ' ' LEU . 24.5 p90 -151.46 -177.46 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 61' ' ' TYR . 3.2 t -143.12 114.31 5.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 136.41 32.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -154.33 118.17 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mttp 47.42 43.3 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.18 -20.36 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.09 127.71 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -98.8 108.63 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 70.9 m-85 -113.05 129.29 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.594 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.26 164.06 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.32 -54.78 0.68 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.78 -52.26 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.5 m -54.14 -17.7 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.603 ' CE1' ' CE1' ' A' ' 65' ' ' PHE . 92.2 t80 -94.47 -50.54 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.97 -22.49 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -82.19 -49.14 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -60.8 -29.84 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 37.4 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.433 ' N ' HG23 ' A' ' 15' ' ' VAL . 29.2 t -66.45 141.89 57.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.486 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.8 t -94.46 -14.98 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 -60.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.31 -33.14 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.36 -11.51 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.9 -179.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -104.73 98.54 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 30' ' ' HIS . 29.2 t -65.34 107.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.2 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 19.6 mtt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.944 0.402 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -145.79 -179.58 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -137.5 150.96 47.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -149.64 116.46 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -133.75 116.44 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 -107.97 2.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.29 24.48 5.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.596 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 66.7 mt-30 -134.24 173.39 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 22' ' ' LEU . 52.1 m -144.63 132.06 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 21.9 m-90 -125.89 152.85 45.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' HG22 ' A' ' 15' ' ' VAL . 23.3 m80 -76.03 147.93 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' CD ' ' HD2' ' A' ' 20' ' ' ARG . 3.8 tt0 -53.77 -13.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -110.55 -15.07 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.0 m -92.34 -36.37 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.8 t80 -66.58 99.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 42' ' ' PRO . 13.1 mt -123.94 176.2 6.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 25.7 t -88.75 145.47 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.45 22.69 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.86 -53.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -111.18 -3.88 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.89 37.68 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -94.08 143.95 27.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.0 Cg_endo -69.79 90.3 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.507 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.0 mt -73.83 3.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -37.68 -50.43 1.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 m -124.28 35.65 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -128.08 163.22 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 m -82.55 132.23 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.0 p90 -150.54 -177.24 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.783 HG21 ' CD2' ' A' ' 61' ' ' TYR . 5.3 t -133.21 115.13 13.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . 15.4 t0 -105.0 -178.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -42.25 96.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 44.19 27.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.88 128.84 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 111.06 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -100.8 108.37 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.5 m-85 -115.31 131.12 57.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.8 166.65 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.592 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -34.97 -55.04 1.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.0 Cg_endo -69.83 -53.08 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.5 m -53.94 -18.87 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.783 ' CD2' HG21 ' A' ' 49' ' ' VAL . 69.2 t80 -94.0 -54.27 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.16 -25.35 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -79.96 -45.04 19.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -64.25 -38.44 91.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 16.4 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.516 ' N ' HG23 ' A' ' 15' ' ' VAL . 31.7 t -65.1 140.13 58.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.47 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.5 t -92.44 -12.59 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.93 -62.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -93.35 -33.34 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.61 -14.8 35.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.47 -178.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.419 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.6 m -102.59 101.79 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.527 HG22 ' CE1' ' A' ' 30' ' ' HIS . 21.8 t -68.6 98.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.6 mmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.522 0.677 . . . . 0.0 110.908 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' HB2' HG11 ' A' ' 15' ' ' VAL . 36.9 pttt -148.46 173.34 13.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -131.77 151.5 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -150.03 115.43 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.4 m-85 -134.5 137.62 44.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.27 6.6 7.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.69 -36.75 3.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.603 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.3 mm100 -66.36 177.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.5 m -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.603 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.6 m-90 -126.04 149.7 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.1 m80 -72.66 145.35 47.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -51.7 -14.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.32 -15.43 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -91.17 -38.26 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.4 t80 -65.53 98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 42' ' ' PRO . 8.5 mt -118.03 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 21.8 t -90.83 148.01 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.543 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -87.34 22.66 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -52.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.35 -2.72 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 59.2 38.39 23.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -98.89 148.7 34.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.81 96.43 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.315 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.679 HD13 ' CB ' ' A' ' 48' ' ' PHE . 49.0 mt -77.73 2.74 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.555 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -65.03 -4.77 16.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.3 p -123.55 -41.58 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HG3' ' HA ' ' A' ' 43' ' ' LEU . 4.2 ptt-85 -96.58 159.86 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -69.72 170.03 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.679 ' CB ' HD13 ' A' ' 43' ' ' LEU . 43.4 p90 -167.7 -178.21 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.9 t -136.03 115.02 10.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.85 58.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -162.04 114.79 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 46.92 45.4 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.31 -20.9 5.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.86 129.37 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.1 m80 -101.14 108.47 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.8 m-85 -111.36 129.67 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.602 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.51 165.38 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.55 -54.53 0.94 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.714 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.602 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.82 -52.45 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m -54.23 -18.74 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.705 ' CE2' HG11 ' A' ' 49' ' ' VAL . 70.6 t80 -93.87 -54.09 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -63.44 -22.13 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -80.04 -48.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 5.3 ptmt -62.88 -31.38 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 40.6 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -69.86 -59.02 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -138.87 175.09 9.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.98 130.85 5.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 m -120.3 94.16 4.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -108.08 47.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.58 160.69 50.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.43 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' THR . 34.8 t -65.87 137.65 57.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.482 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 4.6 t -91.95 -10.18 40.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.818 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.57 -60.55 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -95.99 -32.31 12.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.29 -14.44 39.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -54.29 178.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.4 m -101.38 107.55 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 21' ' ' LYS . 29.4 t -73.89 116.12 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.9 mmt -90.24 147.83 37.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.87 37.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.92 39.43 3.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -168.99 154.86 6.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -57.09 114.34 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB2' HG11 ' A' ' 15' ' ' VAL . 15.1 pttm -136.79 175.48 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -135.28 152.53 51.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.502 ' HG2' HG23 ' A' ' 28' ' ' THR . 32.7 mt-10 -151.95 115.81 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -134.45 141.83 46.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.92 10.01 6.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.89 -35.19 4.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.2 mm100 -67.83 176.88 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HG2' ' A' ' 23' ' ' GLU . 78.5 m -144.92 127.34 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.2 m-90 -125.76 150.27 47.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CE1' HG22 ' A' ' 15' ' ' VAL . 17.6 m80 -73.21 146.05 45.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.93 -14.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.1 -14.94 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.7 m -91.75 -39.78 11.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -65.73 96.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.2 mt -117.54 178.94 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 22.4 t -91.72 143.16 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -84.11 22.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.6 -52.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.5 -4.25 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 61.62 38.64 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -98.5 145.81 30.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.595 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.4 Cg_endo -69.8 93.14 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.718 HD13 ' CB ' ' A' ' 48' ' ' PHE . 41.8 mt -72.99 2.74 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.442 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -61.76 -6.83 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 t -131.56 -34.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.878 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 3.2 ptp180 -94.06 154.25 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -68.6 164.15 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.718 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.4 p90 -166.59 -177.2 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.693 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.2 t -132.09 113.65 14.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 106.15 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 53' ' ' GLY . 23.9 t0 -106.99 -174.91 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -43.35 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 43.22 27.77 0.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.02 128.53 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -99.51 108.59 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.1 m-85 -116.38 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.06 173.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.14 -54.64 5.61 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.625 0.726 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -52.56 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.4 m -53.8 -19.4 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.693 ' CD2' HG21 ' A' ' 49' ' ' VAL . 70.6 t80 -93.81 -51.33 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.62 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -83.37 -44.7 14.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.8 ptmt -69.4 -30.48 68.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 27.7 m-85 -93.24 17.4 11.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.84 144.25 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 p -81.47 124.94 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.75 144.26 5.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -6.67 19.13 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.318 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.3 m -39.4 122.49 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 t -66.61 -47.82 71.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.499 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -125.84 98.73 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -99.26 -49.09 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.821 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.93 120.73 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -91.68 -47.01 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 p -97.68 132.3 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.79 158.26 27.78 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.1 t -63.69 141.32 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.469 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 11.5 t -95.3 -12.75 25.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.46 -59.62 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -96.63 -30.68 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.31 -15.39 42.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.5 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -107.12 108.72 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.711 HG22 ' NE2' ' A' ' 30' ' ' HIS . 58.8 t -79.23 113.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.5 mmt -84.33 148.26 52.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -33.14 17.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.626 2.218 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.06 40.04 2.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -165.58 145.72 6.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.04 127.09 4.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HB2' HG11 ' A' ' 15' ' ' VAL . 36.3 pttt -160.67 175.67 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.7 mt -132.07 151.24 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -147.51 115.94 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 13.4 m-85 -134.14 123.32 24.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.51 -97.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.41 7.95 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.591 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.1 mm-40 -115.9 178.52 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 22' ' ' LEU . 55.5 m -145.0 132.13 20.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.7 m-90 -126.28 150.63 48.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.711 ' NE2' HG22 ' A' ' 15' ' ' VAL . 25.8 m80 -75.52 147.36 39.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -52.99 -13.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -110.37 -13.64 14.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -93.49 -38.95 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 35.0 t80 -68.75 99.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mt -119.62 179.26 4.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' HB2' HD21 ' A' ' 43' ' ' LEU . 21.9 t -91.21 144.65 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -85.67 23.49 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.93 -48.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.08 -5.15 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 62.78 37.94 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -98.92 145.52 30.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.548 0.689 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 94.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.714 HD13 ' CB ' ' A' ' 48' ' ' PHE . 40.8 mt -74.47 4.05 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.588 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -64.48 -4.86 14.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 p -123.86 -42.46 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HG3' ' HA ' ' A' ' 43' ' ' LEU . 4.8 ptt-85 -94.33 167.35 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 m -79.34 168.45 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.714 ' CB ' HD13 ' A' ' 43' ' ' LEU . 40.0 p90 -165.56 -176.97 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.818 HG11 ' CE2' ' A' ' 61' ' ' TYR . 3.9 t -130.41 114.42 17.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.728 . . . . 0.0 111.182 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 109.35 2.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -111.64 -178.43 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -40.34 99.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.86 29.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.11 127.23 17.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -99.29 109.03 21.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.404 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 78.4 m-85 -113.25 132.17 55.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.594 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.64 170.46 2.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.11 -54.67 3.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.69 -52.99 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.66 -18.92 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.818 ' CE2' HG11 ' A' ' 49' ' ' VAL . 66.2 t80 -94.16 -54.16 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -62.96 -25.13 68.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -73.44 -49.66 25.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -65.55 -40.56 93.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -91.59 11.47 24.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.78 -61.38 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 t -109.52 169.87 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.16 -163.58 17.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -47.27 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.0 p -175.11 166.43 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.6 t -80.21 86.78 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.488 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -120.52 41.86 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 4' ' ' GLY . 28.2 t -81.8 146.2 30.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.13 109.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -135.07 160.29 38.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.391 . . . . 0.0 110.826 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -100.67 106.7 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.69 162.49 21.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 27.3 t -64.84 139.61 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.9 t -94.33 -8.23 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.24 -55.86 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -98.01 -33.85 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.11 9.24 45.61 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.98 -175.27 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.6 m -101.84 104.21 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.511 HG22 ' CE1' ' A' ' 30' ' ' HIS . 42.8 t -75.43 106.22 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.7 mmt -77.09 149.77 80.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 165.3 31.51 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.254 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.14 -45.09 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -67.95 147.3 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -51.76 107.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -139.53 179.81 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -140.21 151.11 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 28' ' ' THR . 29.5 mt-10 -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -134.54 133.31 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.42 25.02 64.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.08 -33.85 5.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.591 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -68.62 171.97 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.469 HG23 ' HG2' ' A' ' 23' ' ' GLU . 87.0 m -144.54 126.86 15.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.591 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.05 149.07 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.511 ' CE1' HG22 ' A' ' 15' ' ' VAL . 27.3 m80 -71.93 145.87 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -52.39 -13.93 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -110.38 -14.29 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.2 m -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.5 t80 -66.36 97.58 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.65 HD23 ' HA ' ' A' ' 42' ' ' PRO . 13.0 mt -121.71 179.6 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 30.4 t -91.26 148.7 22.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.531 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -89.66 23.04 2.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.15 -48.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -115.3 -3.67 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 61.84 35.75 16.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -91.92 143.71 28.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.65 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.73 91.49 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.541 HD13 ' CB ' ' A' ' 48' ' ' PHE . 19.5 mt -74.41 4.33 6.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.561 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -42.26 -47.67 5.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 p -124.63 33.7 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 110.923 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -128.87 164.23 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 m -84.26 132.63 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.541 ' CB ' HD13 ' A' ' 43' ' ' LEU . 28.8 p90 -150.91 -177.25 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.89 HG11 ' CE2' ' A' ' 61' ' ' TYR . 4.4 t -133.45 114.72 13.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 103.57 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -103.26 -174.77 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.74 98.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.67 27.72 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.37 128.36 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.428 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 24.3 m170 -100.7 108.62 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 75.2 m-85 -114.72 131.13 56.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.9 p -62.68 166.0 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.54 -55.53 0.69 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.77 -53.61 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.2 m -53.97 -19.07 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.89 ' CE2' HG11 ' A' ' 49' ' ' VAL . 72.8 t80 -93.82 -53.85 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 29.4 mt-10 -63.37 -19.81 64.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.31 -44.14 20.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -30.98 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.64 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 -92.58 13.85 18.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -142.65 167.6 21.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.3 p -42.75 132.5 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.8 -105.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 88.96 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -63.09 -59.32 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.5 p -91.38 149.83 21.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.446 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -45.29 149.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -145.56 140.01 27.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.18 45.42 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -48.44 113.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -46.4 119.9 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.18 158.13 20.27 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 15' ' ' VAL . 24.4 t -66.75 139.63 57.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.9 t -93.39 -13.47 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.02 -60.87 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 p -94.65 -32.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.58 -14.08 38.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.25 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.7 m -107.39 99.6 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.568 HG12 ' HD3' ' A' ' 21' ' ' LYS . 23.2 t -64.42 116.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.6 mtt -91.28 148.4 37.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.578 0.704 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -21.68 33.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.73 36.59 2.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -165.87 153.45 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -58.2 121.46 10.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HD3' HG12 ' A' ' 15' ' ' VAL . 36.8 pttt -143.4 179.58 7.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.712 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.98 152.07 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.968 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.89 116.16 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 12.9 m-85 -133.78 122.36 23.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -99.64 1.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.53 16.77 3.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.594 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.3 mm-40 -125.25 177.9 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' LEU . 92.1 m -145.02 131.93 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.4 m-90 -126.25 150.56 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.469 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.7 m80 -73.99 147.69 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -53.02 -14.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -110.23 -14.96 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 m -91.39 -37.57 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.712 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 27.6 t80 -68.01 99.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.588 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.0 mt -122.36 177.79 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 30.4 t -88.1 149.45 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -90.54 23.05 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.73 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.9 p -112.1 -5.26 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.9 37.07 9.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -93.72 143.39 26.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.588 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.1 Cg_endo -69.79 93.85 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.68 HD13 ' CB ' ' A' ' 48' ' ' PHE . 20.2 mt -77.5 4.49 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -36.97 -42.32 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -121.32 -30.13 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.347 . . . . 0.0 110.809 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -64.14 159.81 19.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.8 m -81.65 145.67 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.68 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.4 p90 -156.56 -177.26 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.918 HG11 ' CE2' ' A' ' 61' ' ' TYR . 4.6 t -133.64 116.1 13.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.695 0.76 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 101.33 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -101.61 -174.72 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 97.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.17 28.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.98 132.55 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -102.42 108.29 19.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.8 m-85 -115.64 132.15 56.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.579 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.89 168.59 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -36.37 -55.2 1.46 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.654 0.74 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.78 -53.46 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.475 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.4 m -53.93 -19.53 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.918 ' CE2' HG11 ' A' ' 49' ' ' VAL . 71.6 t80 -94.08 -51.43 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 45.6 mt-10 -68.41 -18.4 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.24 -46.63 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -67.71 -29.28 68.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 51.1 m-85 -100.9 17.35 22.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -86.04 76.35 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' ALA . 52.1 p 35.85 43.6 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.97 116.67 5.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' SER . 54.1 Cg_endo -69.75 108.63 2.12 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.643 2.228 . . . . 0.0 112.368 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.9 t -41.87 96.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 69' ' ' PRO . 52.9 p -50.27 124.4 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -45.3 141.26 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -118.59 80.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.5 123.33 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 p -94.57 -56.52 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -50.31 108.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.57 153.69 17.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 15' ' ' VAL . 22.9 t -63.28 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 14.6 t -92.27 -10.33 38.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.84 -63.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.82 -31.69 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.42 -13.41 47.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -54.22 177.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 m -101.56 98.18 8.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.455 HG21 HG22 ' A' ' 28' ' ' THR . 40.5 t -59.42 110.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.2 mmm -89.12 153.95 49.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 163.98 36.2 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.39 -38.49 2.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 20' ' ' ARG . 3.4 m -85.11 125.48 32.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 19' ' ' SER . 35.0 mmt-85 -34.53 117.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -140.63 177.33 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.688 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -139.46 151.46 46.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HG2' HG23 ' A' ' 28' ' ' THR . 70.9 mt-10 -151.49 115.58 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -134.68 141.91 46.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.47 9.02 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.98 -34.25 5.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.601 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 2.0 mm-40 -68.58 177.84 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.455 HG22 HG21 ' A' ' 15' ' ' VAL . 90.0 m -144.91 127.96 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.601 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.5 m-90 -125.98 150.55 47.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -73.84 145.23 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 5.6 tt0 -51.36 -14.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -110.23 -15.1 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 m -91.18 -37.1 13.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.688 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.5 t80 -66.25 98.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.4 mt -119.06 177.83 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 23.1 t -89.63 146.14 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -86.45 22.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.51 -53.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -110.1 -2.74 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 60.66 38.1 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -97.44 146.77 31.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.529 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.9 Cg_endo -69.72 95.49 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.307 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.707 HD13 ' CB ' ' A' ' 48' ' ' PHE . 34.9 mt -78.22 5.15 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.494 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -62.0 -10.57 27.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -127.05 -38.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -89.63 151.21 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -64.41 166.97 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.707 ' CB ' HD13 ' A' ' 43' ' ' LEU . 41.7 p90 -167.14 -176.96 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.788 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.6 t -139.29 114.0 8.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.36 47.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -159.86 116.86 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttm 47.38 43.74 15.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -20.31 5.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.53 126.2 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.0 m80 -97.37 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 71.4 m-85 -112.79 130.18 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.584 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.69 166.93 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.73 -55.26 0.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -53.37 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.3 m -53.75 -18.47 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE2' HG11 ' A' ' 49' ' ' VAL . 74.8 t80 -94.01 -54.14 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 69.2 mt-10 -61.9 -25.92 67.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -76.39 -49.06 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -62.24 -35.42 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -90.99 14.4 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -99.31 85.58 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 p -101.68 126.74 48.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.24 -77.51 1.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -173.95 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -87.59 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 p -52.65 -62.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.109 -0.829 . . . . 0.0 112.464 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -139.32 175.5 9.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.931 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -114.9 105.29 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.7 104.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -92.03 80.23 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -103.38 81.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.1 157.24 20.06 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' N ' HG23 ' A' ' 15' ' ' VAL . 34.5 t -64.69 136.53 57.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.478 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.6 t -91.16 -8.83 47.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.01 -60.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -95.05 -32.02 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.31 -14.24 39.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -53.09 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -105.16 99.22 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.559 HG21 HG22 ' A' ' 28' ' ' THR . 47.6 t -61.35 99.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.16 151.45 94.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' GLY . 53.8 Cg_endo -69.79 -168.64 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' PRO . . . 35.07 38.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.427 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -150.64 137.64 19.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.94 107.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -144.53 178.27 8.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.2 mt -138.61 151.6 47.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -150.58 115.5 5.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -134.98 141.96 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.73 8.47 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.07 -33.97 5.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.6 mm-40 -70.0 178.5 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.559 HG22 HG21 ' A' ' 15' ' ' VAL . 93.2 m -144.7 128.63 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.7 m-90 -125.79 149.23 48.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -72.53 144.89 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.2 -15.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -109.06 -16.95 14.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 m -89.16 -37.48 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.695 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 20.2 t80 -66.84 98.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.4 mt -119.9 178.75 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.434 ' HB2' HD21 ' A' ' 43' ' ' LEU . 26.4 t -91.5 145.86 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.05 23.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -50.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -113.2 -3.7 13.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 60.97 39.39 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -99.88 146.2 31.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.573 0.701 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.467 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.72 96.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.73 2.286 . . . . 0.0 112.348 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.705 HD13 ' CB ' ' A' ' 48' ' ' PHE . 29.0 mt -77.94 3.97 13.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.488 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.5 -8.98 7.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -128.62 -38.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 8.0 ptp85 -90.4 151.4 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -65.22 167.24 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.705 ' CB ' HD13 ' A' ' 43' ' ' LEU . 40.2 p90 -167.29 -177.11 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.732 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.5 t -140.03 112.65 7.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.38 53.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -161.09 118.89 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 48.43 44.25 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.61 -18.79 6.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.61 138.66 33.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.4 m80 -108.46 108.32 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 70.8 m-85 -112.8 129.69 56.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.52 166.73 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.57 -55.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.77 -52.83 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.4 m -54.23 -18.37 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.732 ' CE2' HG11 ' A' ' 49' ' ' VAL . 68.1 t80 -94.22 -51.5 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -64.16 -25.87 68.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -72.65 -50.12 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -64.03 -42.12 97.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -87.22 13.34 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.76 177.29 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -115.57 125.65 53.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -147.07 167.35 28.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.4 Cg_endo -69.79 131.34 21.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' PRO . 84.3 p -36.47 127.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p -139.33 167.54 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.468 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 1' ' ' GLY . 34.7 t -34.5 141.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.818 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 p -101.73 42.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.76 162.95 14.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -173.75 163.48 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -110.96 123.04 49.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.6 156.09 21.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.543 ' N ' HG23 ' A' ' 15' ' ' VAL . 21.7 t -60.29 142.29 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.48 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 37.3 t -94.63 -14.27 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.21 -61.76 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.93 -33.79 13.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.47 -13.57 39.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -52.75 176.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.409 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.3 m -98.08 100.07 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG12 ' HD3' ' A' ' 21' ' ' LYS . 39.1 t -67.44 114.46 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 mmm -88.87 154.13 49.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -37.26 9.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.94 44.54 3.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -163.84 134.09 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.27 118.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.678 ' HD3' HG12 ' A' ' 15' ' ' VAL . 37.3 pttt -149.13 -178.53 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.702 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.3 mt -138.19 155.17 48.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -151.54 115.73 5.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -134.16 122.25 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.76 -100.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.83 16.79 4.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.471 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.604 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 15.8 mm-40 -123.55 176.21 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 22' ' ' LEU . 73.2 m -144.54 130.07 18.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.604 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.7 m-90 -126.16 150.62 48.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' A' ' 15' ' ' VAL . 19.5 m80 -75.17 146.78 40.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -53.28 -14.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 28.0 p-80 -110.85 -12.36 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.59 -40.17 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.702 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 33.5 t80 -66.18 93.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 42' ' ' PRO . 8.3 mt -112.64 177.57 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.8 t -88.75 145.44 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.5 m -86.3 24.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.38 -50.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.8 p -115.67 -1.83 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 61.85 35.82 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.39 145.57 31.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.1 Cg_endo -69.85 95.14 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.295 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.573 HD13 ' CB ' ' A' ' 48' ' ' PHE . 22.3 mt -81.87 12.9 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.594 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -68.29 -9.06 56.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 m -130.74 -38.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 15.7 ptm180 -85.76 163.56 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -77.0 168.36 20.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CB ' HD13 ' A' ' 43' ' ' LEU . 44.9 p90 -167.52 -176.87 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 2.5 t -139.34 112.6 7.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.71 48.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -161.35 120.16 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mttm 46.46 42.75 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.18 5.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.3 124.3 29.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.326 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -96.27 108.21 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.408 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 78.8 m-85 -111.43 132.77 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.584 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.41 172.87 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.36 -54.55 6.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 -53.05 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 13.1 m -53.59 -17.97 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.689 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 88.6 t80 -94.73 -52.2 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.16 -22.84 67.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.429 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -80.06 -47.34 15.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -64.25 -30.24 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 24.4 m-85 -91.16 17.27 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.17 139.97 33.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -108.05 163.32 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.2 171.57 52.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.2 5.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -149.91 116.77 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -101.04 -58.14 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -111.0 80.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -115.34 175.77 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.13 -41.15 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 6' ' ' SER . 5.1 t -71.98 110.68 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 5' ' ' SER . 80.0 p -34.84 138.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.52 149.69 21.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 21.4 t -63.18 145.5 55.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.489 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 36.0 t -95.21 -14.53 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.0 -63.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.62 -32.34 16.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.11 53.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.72 175.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -99.66 102.45 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG22 ' CE1' ' A' ' 30' ' ' HIS . 5.4 t -69.96 122.17 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.2 mmt -97.94 153.43 38.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -33.61 16.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -46.31 -35.92 7.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -107.62 169.58 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -70.94 144.86 50.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.541 ' HB2' HG11 ' A' ' 15' ' ' VAL . 16.5 pttm -152.86 171.97 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -126.83 149.97 49.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 28' ' ' THR . 15.9 mt-10 -150.49 115.64 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 16.9 m-85 -134.84 138.46 44.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.1 6.57 7.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.1 -37.34 3.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.2 mt-30 -67.2 176.29 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 23' ' ' GLU . 94.1 m -144.99 128.18 16.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 26.2 m-90 -126.32 144.38 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.601 ' CE1' HG22 ' A' ' 15' ' ' VAL . 22.9 m80 -66.67 146.0 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.1 -13.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -110.74 -12.17 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 m -96.11 -37.02 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.9 t80 -65.57 97.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.0 mt -119.61 177.04 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.426 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.7 t -87.89 144.82 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -86.43 24.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.88 -50.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.03 -3.55 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 63.27 36.92 11.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -93.39 145.47 30.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.516 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.82 96.15 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.592 HD13 ' CB ' ' A' ' 48' ' ' PHE . 20.3 mt -82.47 6.16 18.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -44.9 -39.22 6.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.9 p -117.72 -29.62 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -72.71 162.29 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.05 160.89 25.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CB ' HD13 ' A' ' 43' ' ' LEU . 39.3 p90 -167.34 -177.35 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.797 HG11 ' CE2' ' A' ' 61' ' ' TYR . 3.4 t -141.51 117.71 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 135.29 30.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -155.38 116.65 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 47.42 42.35 14.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.04 -20.31 5.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.1 125.03 30.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -95.87 107.86 20.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.401 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 76.6 m-85 -111.81 131.77 55.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.585 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.79 164.15 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.591 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.1 -54.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.7 Cg_endo -69.79 -53.92 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.502 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 8.2 m -53.3 -18.29 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.797 ' CE2' HG11 ' A' ' 49' ' ' VAL . 73.8 t80 -94.11 -53.66 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.722 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 39.0 mt-10 -63.1 -24.93 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.42 -49.78 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -62.48 -38.15 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -90.81 14.77 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -99.13 150.93 21.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -77.9 107.9 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.72 143.7 15.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.26 8.05 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m -88.73 -58.17 2.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.2 p -131.97 143.49 50.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.487 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -44.18 124.16 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.817 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -64.6 81.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.52 102.74 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.5 p -78.49 -44.09 25.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -112.36 139.88 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.12 153.75 24.9 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' N ' HG23 ' A' ' 15' ' ' VAL . 31.9 t -63.48 143.78 57.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.481 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 27.8 t -95.38 -13.7 24.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.87 -61.54 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -92.98 -33.33 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.52 -9.87 45.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.63 -179.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.2 m -101.83 101.24 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.538 HG21 HG22 ' A' ' 28' ' ' THR . 40.0 t -63.38 110.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.0 mtp -78.73 147.07 70.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.503 0.668 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -27.51 26.18 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.71 45.09 3.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -170.58 140.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.86 122.55 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HB2' HG11 ' A' ' 15' ' ' VAL . 17.1 pttm -141.1 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -136.22 150.35 48.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -148.52 114.7 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.401 ' CE1' ' HZ ' ' A' ' 48' ' ' PHE . 17.5 m-85 -135.68 140.88 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.03 6.97 7.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.06 -34.32 5.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.505 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.2 mt-30 -71.37 179.82 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.538 HG22 HG21 ' A' ' 15' ' ' VAL . 96.3 m -144.79 130.01 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.9 m-90 -126.43 145.9 50.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 23.9 m80 -69.05 144.24 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -50.56 -15.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -108.69 -16.71 14.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.8 m -89.68 -38.53 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 25.1 t80 -67.04 97.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.6 mt -119.0 176.15 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.489 ' HB2' HD21 ' A' ' 43' ' ' LEU . 24.3 t -88.01 147.34 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.512 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -88.44 23.4 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -50.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 p -112.66 -4.91 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 62.37 38.84 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -99.33 147.99 34.05 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.66 0.743 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.481 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.76 97.01 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' CB ' ' A' ' 48' ' ' PHE . 30.8 mt -79.45 1.64 24.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.664 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.91 -9.14 9.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -126.03 -40.0 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 9.4 ptp180 -90.02 155.42 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.6 168.06 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CB ' HD13 ' A' ' 43' ' ' LEU . 39.5 p90 -167.54 -177.38 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.755 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.9 t -137.52 113.62 9.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 140.38 42.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.36 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -158.82 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt 48.31 43.35 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.94 -18.56 5.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.47 138.01 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -107.05 108.51 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.512 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 71.8 m-85 -113.39 130.12 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.97 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.94 165.06 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -33.9 -54.91 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.71 -52.47 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 6.9 m -54.28 -18.58 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.755 ' CE2' HG11 ' A' ' 49' ' ' VAL . 69.1 t80 -94.22 -52.01 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 58.6 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -72.98 -46.71 50.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -66.94 -36.98 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -90.58 15.6 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -86.08 48.17 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t -170.48 142.47 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.79 162.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 79.98 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.1 p -129.53 78.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 m -90.28 -58.15 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.426 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -167.35 108.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -80.58 -60.79 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.01 178.09 35.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -165.25 146.51 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 p -47.81 115.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.03 157.58 26.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 37.6 t -65.75 135.24 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.495 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 10.9 t -90.73 -9.3 47.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.86 -58.52 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.44 -31.83 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.37 -15.34 35.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.81 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.8 m -106.98 103.32 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.689 HG22 ' NE2' ' A' ' 30' ' ' HIS . 59.0 t -70.84 106.25 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.7 mmt -80.35 145.39 59.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 140.36 42.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.32 -40.71 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' ARG . 3.4 m -84.07 140.96 31.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 8.1 mmp_? -37.63 107.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -139.88 175.54 9.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -137.95 149.7 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.609 ' HG2' HG23 ' A' ' 28' ' ' THR . 38.2 mt-10 -149.25 115.46 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -134.71 140.85 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.77 7.23 7.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.07 -33.87 5.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.6 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.3 mm100 -67.67 178.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.609 HG23 ' HG2' ' A' ' 23' ' ' GLU . 45.8 m -145.05 126.2 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.5 m-90 -126.13 148.82 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.689 ' NE2' HG22 ' A' ' 15' ' ' VAL . 29.4 m80 -74.28 146.71 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.82 -13.61 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -110.51 -13.37 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.8 m -94.44 -40.89 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 31.4 t80 -64.46 95.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 42' ' ' PRO . 11.7 mt -117.15 176.89 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.428 ' HB2' HD21 ' A' ' 43' ' ' LEU . 18.9 t -89.23 143.8 26.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 75.0 m -84.81 24.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.27 -50.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.6 p -114.75 -3.06 12.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 62.15 36.44 15.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -93.25 144.19 27.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.594 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.1 Cg_endo -69.77 92.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.737 2.291 . . . . 0.0 112.363 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.592 HD13 ' CB ' ' A' ' 48' ' ' PHE . 22.6 mt -76.86 7.77 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.441 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -39.48 -59.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 p -116.71 29.39 7.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.534 ' NH2' ' CD2' ' A' ' 43' ' ' LEU . 11.2 mtm105 -118.68 166.14 13.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 m -86.55 134.1 33.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' CB ' HD13 ' A' ' 43' ' ' LEU . 32.6 p90 -151.15 -177.11 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.677 HG21 ' CD2' ' A' ' 61' ' ' TYR . 5.2 t -133.52 115.49 13.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 103.08 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -104.31 -176.25 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -43.9 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.37 28.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.76 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -102.78 108.26 19.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 83.6 m-85 -114.57 132.56 56.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.54 171.17 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -39.86 -54.66 4.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 10.5 m -53.28 -18.98 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.677 ' CD2' HG21 ' A' ' 49' ' ' VAL . 73.4 t80 -93.86 -54.99 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -60.71 -25.08 66.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -79.48 -45.96 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -63.06 -36.95 85.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -92.8 17.48 10.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.93 173.17 10.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 t -100.27 40.73 1.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.65 -115.53 5.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -177.88 2.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.7 p -69.9 162.13 28.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.4 m -44.21 -55.49 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.508 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -91.43 -44.66 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.391 . . . . 0.0 110.912 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 57.27 47.32 17.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.35 102.46 2.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -61.64 -48.47 80.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -101.99 115.98 31.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.94 160.17 23.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 28' ' ' THR . 17.4 t -65.26 140.26 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.3 t -93.18 -13.03 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.8 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -92.74 -33.38 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -13.34 41.7 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.96 176.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 m -99.7 101.3 12.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' HB2' ' A' ' 21' ' ' LYS . 92.2 t -67.25 114.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.1 mmm -88.72 154.2 50.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -35.75 11.93 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.96 38.96 2.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -160.62 140.02 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.94 121.43 3.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' HB2' HG11 ' A' ' 15' ' ' VAL . 42.8 pttt -144.95 179.8 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.717 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -140.54 151.83 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -150.96 115.16 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -134.08 134.96 42.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.19 -47.42 1.65 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.07 -20.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 mt-30 -86.51 -176.31 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 97.3 m -144.65 128.18 17.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 25.1 m-90 -125.73 142.5 51.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -63.01 144.09 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.76 -13.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -111.05 -14.17 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.7 m -93.07 -36.42 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.717 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 30.3 t80 -65.14 96.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 42' ' ' PRO . 6.3 mt -117.35 175.8 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.423 ' HB2' HD21 ' A' ' 43' ' ' LEU . 15.7 t -88.07 142.37 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.0 m -83.34 23.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.14 -50.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.1 p -114.99 -2.84 12.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 62.11 36.84 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -92.65 143.55 27.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.584 0.707 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.4 Cg_endo -69.72 90.63 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.644 2.23 . . . . 0.0 112.376 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.8 mt -75.55 6.89 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.486 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -38.66 -55.99 2.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.0 p -120.86 32.73 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -121.22 167.99 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 m -87.54 133.29 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.5 p90 -151.08 -176.78 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.877 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.3 t -133.63 115.1 13.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.01 -174.68 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -44.99 99.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.11 28.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.11 130.26 22.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.097 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -102.83 108.79 20.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.02 132.81 56.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.573 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.02 172.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -40.98 -54.78 5.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.661 0.743 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -53.52 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 15.8 m -53.5 -18.98 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.877 ' CD2' HG21 ' A' ' 49' ' ' VAL . 68.0 t80 -93.98 -53.13 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 34.8 mt-10 -64.43 -23.02 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -82.05 -49.03 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.2 ptmt -61.47 -31.23 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 43.0 m-85 -100.13 15.89 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -87.93 136.1 33.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.7 t -119.21 86.05 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.33 127.43 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 86.07 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.8 t -79.65 135.29 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.1 p -42.08 120.29 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.45 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -117.34 -44.37 2.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 110.785 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -132.26 140.28 48.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.46 70.6 0.48 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -125.64 -59.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -131.92 66.86 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.8 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.15 162.84 15.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 35.2 t -68.06 132.61 47.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.479 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 12.8 t -91.08 -3.47 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.27 -49.31 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -105.83 -30.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.01 49.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.76 -177.32 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 m -104.3 101.54 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 30' ' ' HIS . 24.4 t -75.44 119.58 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.5 mmt -88.46 151.26 48.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -33.82 15.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.47 37.33 2.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -159.51 138.54 11.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -43.67 122.9 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HB2' HG11 ' A' ' 15' ' ' VAL . 51.9 pttt -150.76 176.29 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -133.52 151.59 51.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -149.49 115.14 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -135.4 128.57 31.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.71 23.1 70.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.12 -34.48 5.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.587 ' CB ' ' CH2' ' A' ' 29' ' ' TRP . 16.4 mt-30 -67.19 173.53 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.3 m -145.03 125.95 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' CB ' ' A' ' 27' ' ' GLN . 28.1 m-90 -125.71 149.67 48.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 15' ' ' VAL . 26.5 m80 -73.47 145.74 45.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.9 -15.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -109.17 -15.92 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 m -90.31 -41.59 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -65.37 95.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.9 mt -118.61 176.84 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.446 ' HB2' HD21 ' A' ' 43' ' ' LEU . 19.0 t -88.3 146.29 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 m -88.11 24.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -49.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.5 p -115.16 -4.18 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.64 36.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -92.6 145.32 30.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.609 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.7 Cg_endo -69.78 93.81 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.489 HD13 ' CB ' ' A' ' 48' ' ' PHE . 24.7 mt -78.12 6.68 7.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.477 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . -35.87 -57.57 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.4 p -123.93 39.62 3.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -126.75 165.8 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 p -80.88 136.07 36.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.489 ' CB ' HD13 ' A' ' 43' ' ' LEU . 27.2 p90 -155.1 -177.63 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 61' ' ' TYR . 3.2 t -143.26 114.35 5.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 137.8 36.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -155.11 115.97 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 47.3 44.9 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.17 -20.82 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.33 124.12 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -97.92 108.08 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 77.9 m-85 -111.67 130.91 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.598 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -63.07 163.68 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.36 -54.66 0.69 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.72 -53.02 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m -53.33 -18.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 88.2 t80 -94.04 -56.95 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.14 -18.68 61.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -84.61 -45.36 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 5.5 ptmm? -66.98 -28.13 68.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.3 m-85 -95.55 17.33 14.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.01 -62.61 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.6 t -94.46 53.56 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.807 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.91 146.8 18.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.41 21.1 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.8 p -79.43 162.58 25.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.9 m 49.76 46.28 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.49 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -78.7 138.54 38.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -67.65 -28.59 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.96 135.72 6.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -79.31 -41.43 28.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -107.06 140.98 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.26 163.61 28.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' THR . 40.6 t -72.67 134.51 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 5.9 t -91.3 -9.25 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.38 -57.8 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.15 -27.99 13.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.74 -14.79 56.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.11 177.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.4 m -105.26 98.94 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.589 HG22 ' CE1' ' A' ' 30' ' ' HIS . 46.3 t -64.35 107.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.0 mtp -79.11 154.69 77.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.1 19.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.333 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.99 -44.47 2.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -71.83 162.85 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -66.11 117.33 8.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HB2' HG11 ' A' ' 15' ' ' VAL . 60.8 pttt -143.78 177.32 8.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.711 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.8 mt -138.27 154.96 49.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -153.55 115.25 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.5 m-85 -134.39 133.61 40.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.34 -49.56 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.23 -21.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.586 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 12.0 mm100 -86.08 -176.99 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 22' ' ' LEU . 91.1 m -144.82 128.9 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.586 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 24.3 m-90 -125.85 141.13 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.589 ' CE1' HG22 ' A' ' 15' ' ' VAL . 20.0 m80 -61.86 143.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -13.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -109.86 -14.72 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 m -93.03 -38.02 11.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.711 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.0 t80 -63.08 97.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.1 mt -118.48 176.8 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.481 ' HB2' HD21 ' A' ' 43' ' ' LEU . 22.6 t -88.07 145.41 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -87.3 24.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.43 -48.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.93 -5.35 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 63.18 37.41 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -97.05 148.36 34.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.6 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.78 97.42 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.388 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 36' ' ' CYS . 29.7 mt -81.95 5.1 20.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.6 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -62.79 -6.82 13.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -130.49 -34.9 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 13.7 ptp180 -94.04 151.23 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 m -65.14 169.27 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CB ' HD13 ' A' ' 43' ' ' LEU . 44.6 p90 -167.82 -176.88 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.545 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.7 t -139.07 113.14 8.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.622 0.725 . . . . 0.0 111.066 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.73 45.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.285 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -160.91 120.94 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 46.24 42.29 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.99 -21.44 4.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.17 125.17 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -96.49 108.02 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.405 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 79.6 m-85 -111.0 132.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.954 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.582 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.48 172.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -41.3 -54.39 6.08 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.64 0.734 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.71 -52.59 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.6 m -53.58 -18.97 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.622 ' CE1' ' CE2' ' A' ' 65' ' ' PHE . 78.6 t80 -93.68 -56.93 2.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.04 -24.11 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -78.41 -50.01 12.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -62.85 -27.67 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 41.9 m-85 -98.62 18.27 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.62 153.59 18.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.8 p -87.71 -46.54 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.26 -143.03 48.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 5.81 1.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m 74.0 52.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.5 p -91.49 121.74 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.512 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -134.47 148.25 50.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -122.61 -47.93 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.54 145.43 15.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -103.38 -40.68 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 m -76.92 53.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.08 161.54 29.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 34.7 t -66.38 135.99 55.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.496 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 16.1 t -90.29 -8.86 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.11 -61.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.62 -31.87 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.63 -13.92 42.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.31 179.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.6 m -104.42 105.81 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.679 HG22 ' NE2' ' A' ' 30' ' ' HIS . 39.1 t -74.24 111.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mmt -87.46 154.22 53.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 172.28 12.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.395 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.77 -44.87 2.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -77.02 149.87 35.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -54.61 115.38 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -143.67 177.01 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -136.77 149.23 47.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HG2' HG23 ' A' ' 28' ' ' THR . 35.2 mt-10 -149.86 115.66 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -135.17 136.9 42.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.44 15.14 44.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.54 -34.13 5.95 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.587 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mm-40 -68.17 174.28 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -143.91 126.24 15.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 27.6 m-90 -125.53 148.34 48.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.679 ' NE2' HG22 ' A' ' 15' ' ' VAL . 28.3 m80 -72.73 146.33 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.8 -13.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -109.97 -13.91 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.9 -41.63 9.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 28.2 t80 -63.56 98.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.6 mt -120.93 177.78 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.404 ' HB2' HD21 ' A' ' 43' ' ' LEU . 18.7 t -88.28 145.15 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -85.89 23.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.59 -53.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.46 -3.46 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 62.92 36.7 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -92.17 145.07 30.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.605 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.2 Cg_endo -69.77 92.58 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.568 HD13 ' CB ' ' A' ' 48' ' ' PHE . 26.1 mt -77.34 4.4 10.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -34.06 -57.58 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.1 p -123.21 38.15 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -125.12 169.8 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.4 p -84.21 137.29 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.2 p90 -156.41 -178.07 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 3.4 t -142.63 115.8 6.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.731 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.56 33.31 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -153.95 116.59 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.63 45.59 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.41 -19.78 5.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.47 134.81 35.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -106.19 107.87 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 77.4 m-85 -112.01 131.37 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.603 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -63.13 163.77 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.598 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.71 -54.49 0.76 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.3 Cg_endo -69.78 -53.13 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.4 m -53.18 -18.94 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.453 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 88.8 t80 -93.72 -53.92 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.86 -24.82 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -81.66 -44.72 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -63.6 -37.68 88.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -87.66 16.19 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.16 139.3 53.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -119.12 149.14 42.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.78 137.72 9.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.85 69.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -55.38 155.58 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.4 m -95.47 115.33 27.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.797 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.498 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -123.54 41.82 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -133.37 162.93 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.803 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.16 81.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -92.18 75.4 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -77.2 131.59 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.98 159.66 24.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' VAL . 29.0 t -67.61 138.75 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 3.1 t -91.6 -13.07 32.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.23 -60.84 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -94.48 -36.15 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.69 34.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.67 178.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.7 m -99.71 102.12 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.492 HG22 ' CE1' ' A' ' 30' ' ' HIS . 20.6 t -66.51 120.18 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.0 mmt -98.13 153.96 37.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -38.88 7.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.36 -38.88 2.98 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.7 m -104.6 158.11 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -64.16 136.66 57.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -141.52 177.89 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.706 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.0 mt -132.83 150.23 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -150.32 115.51 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -135.05 131.6 37.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.85 14.95 59.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.52 -35.4 5.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 31.2 mt-30 -66.9 174.55 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 70.9 m -144.58 127.06 15.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.595 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.0 m-90 -125.83 147.57 49.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.492 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.9 m80 -70.78 145.08 50.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.16 -15.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -109.22 -15.78 14.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.71 -39.51 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.706 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 24.0 t80 -64.62 98.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.5 mt -119.27 179.44 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 24.8 t -89.97 148.9 22.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.523 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -89.19 22.9 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.01 -51.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 p -111.8 -4.44 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.15 37.24 11.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -95.74 145.57 29.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.572 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.8 Cg_endo -69.77 96.09 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.795 HD13 ' CB ' ' A' ' 48' ' ' PHE . 29.9 mt -78.91 5.18 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.591 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -64.18 -11.48 46.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 t -124.94 -35.63 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 4.1 ptm85 -93.44 164.02 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -75.35 167.46 21.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.795 ' CB ' HD13 ' A' ' 43' ' ' LEU . 36.4 p90 -167.29 -176.89 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.713 HG11 ' CZ ' ' A' ' 61' ' ' TYR . 2.7 t -139.34 115.23 8.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 141.12 44.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -157.35 111.92 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm 48.13 45.83 19.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.73 -19.22 6.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.48 124.34 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -96.55 107.87 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 72.3 m-85 -113.6 131.47 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.5 p -62.6 171.38 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.597 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -39.82 -54.55 4.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.82 -52.49 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.478 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.6 m -54.14 -19.23 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.713 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 89.0 t80 -94.0 -50.86 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -69.29 -16.93 63.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -88.48 -40.48 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.71 -35.38 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 30.2 m-85 -87.24 15.71 6.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.04 36.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.3 p -159.84 137.23 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -115.28 83.2 0.33 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.312 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -94.92 83.92 4.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.8 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -121.49 85.66 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.478 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 m -80.82 171.06 15.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -80.02 -60.41 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 66.6 53.55 27.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' GLY . 41.6 t -35.72 -45.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.843 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -104.22 -76.23 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.59 158.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 32.0 t -70.69 135.6 48.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.347 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 7.6 t -90.63 -14.05 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.76 -59.33 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.22 -35.24 11.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.98 -12.46 31.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.67 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.3 m -107.9 105.8 15.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.129 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 30' ' ' HIS . 33.5 t -72.76 125.95 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.9 mmt -101.21 152.48 37.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -49.78 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.91 1.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 m -100.0 155.01 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -56.21 133.17 52.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HB2' HG11 ' A' ' 15' ' ' VAL . 15.5 pttp -151.38 176.24 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.7 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -132.99 151.5 52.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HG2' HG23 ' A' ' 28' ' ' THR . 44.5 mt-10 -149.55 116.09 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.3 m-85 -133.47 130.97 39.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.54 -87.97 0.52 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.34 9.5 0.94 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 12.4 mm100 -116.85 -179.78 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' LEU . 85.1 m -144.87 131.04 19.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 23.9 m-90 -125.59 151.54 46.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.642 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.4 m80 -74.57 146.42 42.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.4 -14.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -110.47 -14.2 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 m -92.14 -37.47 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.7 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.4 t80 -67.59 98.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 42' ' ' PRO . 10.5 mt -120.47 178.51 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 24.0 t -91.54 144.53 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -85.0 22.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.9 -53.32 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.9 p -110.6 -2.52 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 59.79 38.63 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -97.48 145.88 30.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.52 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.84 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.736 HD13 ' CB ' ' A' ' 48' ' ' PHE . 35.7 mt -73.17 1.81 8.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.669 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -60.86 -10.25 18.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.4 m -126.29 -35.88 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 10.3 ptp180 -93.68 157.62 16.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -71.27 164.89 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.736 ' CB ' HD13 ' A' ' 43' ' ' LEU . 28.6 p90 -166.94 -177.28 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.817 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.1 t -131.35 113.49 15.72 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 102.79 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -102.82 -175.24 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -43.3 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 29.23 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.15 131.12 23.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.35 108.63 20.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.0 m-85 -115.65 131.34 56.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.7 p -62.34 171.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -39.33 -54.85 3.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.75 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 12.7 m -53.76 -19.22 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.817 ' CD2' HG21 ' A' ' 49' ' ' VAL . 64.1 t80 -93.86 -55.88 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 46.4 mt-10 -62.22 -23.38 66.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -79.6 -50.41 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 8.1 ptmt -61.91 -32.51 72.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 36.0 m-85 -94.27 17.25 13.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -96.74 -57.65 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 m -80.52 97.1 7.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -127.53 174.77 18.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 113.82 3.5 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.4 m -104.76 80.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -108.7 169.69 8.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.501 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -139.21 105.77 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -146.49 170.12 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.92 132.17 1.5 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -65.1 -45.87 83.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 p -136.89 139.63 41.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.21 157.79 29.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' N ' HG23 ' A' ' 15' ' ' VAL . 37.1 t -69.44 134.08 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.9 t -90.11 -7.29 54.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.29 -59.06 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -97.46 -29.08 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.89 -14.89 48.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.62 -179.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 m -106.12 101.33 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.595 HG22 ' CE1' ' A' ' 30' ' ' HIS . 10.9 t -72.23 120.9 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 mmt -93.7 153.6 41.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.05 26.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.95 31.26 2.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -155.59 146.44 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 116.25 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' CE ' ' HG3' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -143.33 178.37 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.684 HD11 ' HA2' ' A' ' 44' ' ' GLY . 7.4 mt -134.57 155.05 51.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' HG3' ' CE ' ' A' ' 21' ' ' LYS . 26.5 mt-10 -150.43 115.28 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -134.76 133.4 39.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.3 0.19 10.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.8 -34.16 4.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.602 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.1 mm100 -69.4 179.38 2.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.5 m -144.15 127.53 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.602 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.1 m-90 -125.5 144.75 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.595 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.9 m80 -67.96 143.98 55.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -50.58 -15.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 22.2 p-80 -109.27 -15.97 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.5 -36.95 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.656 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.8 t80 -67.44 97.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 42' ' ' PRO . 7.6 mt -119.24 177.75 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HB2' HD21 ' A' ' 43' ' ' LEU . 24.7 t -90.41 145.91 24.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.37 22.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.89 -51.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.0 p -111.72 -2.47 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 60.01 37.68 21.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -98.09 146.21 31.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.0 Cg_endo -69.72 94.9 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.701 HD13 ' CB ' ' A' ' 48' ' ' PHE . 32.9 mt -76.2 3.68 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.684 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -59.38 -17.33 39.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.8 m -121.11 -39.36 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 43' ' ' LEU . 16.6 ptp180 -87.29 152.96 21.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 m -68.94 163.57 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.701 ' CB ' HD13 ' A' ' 43' ' ' LEU . 30.7 p90 -165.88 -176.97 4.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.722 HG21 ' CD2' ' A' ' 61' ' ' TYR . 4.2 t -130.51 113.53 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 102.6 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -102.41 -175.88 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.17 99.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.57 28.71 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.522 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.07 127.15 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.112 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -98.74 108.84 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 74.3 m-85 -115.51 131.24 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.586 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.16 173.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -41.93 -54.45 7.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.79 -51.83 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 11.1 m -54.47 -20.05 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.722 ' CD2' HG21 ' A' ' 49' ' ' VAL . 70.0 t80 -93.74 -53.73 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 19.0 mt-10 -67.31 -16.32 64.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -88.21 -44.59 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.71 -26.65 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.494 ' CD1' ' HG3' ' A' ' 64' ' ' LYS . 43.6 m-85 -99.54 9.62 42.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -170.62 124.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.6 t -111.6 -41.86 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 -114.68 3.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 107.35 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -128.84 92.87 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.3 t -76.16 143.4 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.494 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -143.93 108.02 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -83.11 84.17 7.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.36 -74.66 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 50.92 45.49 27.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -106.51 150.57 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.08 154.1 23.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 28' ' ' THR . 20.2 t -62.18 138.03 58.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 26.7 t -91.69 -10.6 39.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.72 -62.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.5 p -93.42 -31.9 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.85 -14.84 41.15 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.59 179.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.962 0.41 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -103.2 103.66 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG22 ' CE1' ' A' ' 30' ' ' HIS . 44.7 t -74.07 119.43 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.3 mmt -90.56 151.81 44.49 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -34.7 14.15 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.73 44.87 2.82 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -169.77 137.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -39.79 119.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HB2' HG11 ' A' ' 15' ' ' VAL . 30.2 pttt -149.05 176.91 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.4 mt -136.99 152.54 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -151.29 115.12 4.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -135.2 136.56 41.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.65 10.11 35.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.06 -34.36 5.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.0 mm-40 -67.38 178.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 87.4 m -144.7 126.88 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.606 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 29.0 m-90 -125.77 148.81 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.619 ' CE1' HG22 ' A' ' 15' ' ' VAL . 16.1 m80 -73.42 145.42 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.35 -14.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -110.49 -15.0 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 m -90.91 -40.04 11.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 29.2 t80 -66.28 95.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 42' ' ' PRO . 9.9 mt -117.76 179.16 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' HD21 ' A' ' 43' ' ' LEU . 26.4 t -91.36 147.09 23.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.527 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -87.8 23.04 2.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.49 -52.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.4 p -112.9 -4.31 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 63.15 37.49 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -93.46 143.77 27.17 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.529 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.5 Cg_endo -69.79 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 48' ' ' PHE . 17.2 mt -75.43 6.13 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.487 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -34.18 -51.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -130.69 38.35 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -124.96 162.85 23.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 p -77.72 131.43 37.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.471 ' CB ' HD13 ' A' ' 43' ' ' LEU . 24.5 p90 -151.46 -177.46 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 61' ' ' TYR . 3.2 t -143.12 114.31 5.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 136.41 32.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -154.33 118.17 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mttp 47.42 43.3 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.18 -20.36 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.09 127.71 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -98.8 108.63 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 70.9 m-85 -113.05 129.29 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.594 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.26 164.06 7.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t -33.32 -54.78 0.68 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.73 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.78 -52.26 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 5.5 m -54.14 -17.7 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.603 ' CE1' ' CE1' ' A' ' 65' ' ' PHE . 92.2 t80 -94.47 -50.54 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.97 -22.49 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -82.19 -49.14 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' ASN . 0.0 OUTLIER -60.8 -29.84 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 37.4 m-85 -96.25 16.93 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -108.31 164.11 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.4 m -45.47 111.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.41 123.6 12.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 146.82 61.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -159.75 106.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -117.43 108.68 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.526 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -97.91 126.02 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -106.53 172.28 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.88 85.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m -103.74 91.56 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -38.76 -76.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.07 149.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.422 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' N ' HG23 ' A' ' 15' ' ' VAL . 29.2 t -66.45 141.89 57.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.486 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 8.8 t -94.46 -14.98 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 -60.18 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.31 -33.14 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.36 -11.51 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.9 -179.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -104.73 98.54 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 30' ' ' HIS . 29.2 t -65.34 107.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.2 mtp -79.85 154.1 75.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.46 60.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.68 -45.41 3.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' ARG . 35.8 m -68.95 129.36 39.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 19.6 mtt180 -35.76 113.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -145.79 -179.58 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 7.1 mt -137.5 150.96 47.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -149.64 116.46 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -133.75 116.44 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 -107.97 2.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.29 24.48 5.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.596 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 66.7 mt-30 -134.24 173.39 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 22' ' ' LEU . 52.1 m -144.63 132.06 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 21.9 m-90 -125.89 152.85 45.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' HG22 ' A' ' 15' ' ' VAL . 23.3 m80 -76.03 147.93 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' CD ' ' HD2' ' A' ' 20' ' ' ARG . 3.8 tt0 -53.77 -13.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -110.55 -15.07 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.0 m -92.34 -36.37 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 26.8 t80 -66.58 99.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 42' ' ' PRO . 13.1 mt -123.94 176.2 6.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 25.7 t -88.75 145.47 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -86.45 22.69 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.86 -53.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -111.18 -3.88 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.89 37.68 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -94.08 143.95 27.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HA ' HD23 ' A' ' 35' ' ' LEU . 54.0 Cg_endo -69.79 90.3 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.507 HD13 ' CB ' ' A' ' 48' ' ' PHE . 18.0 mt -73.83 3.16 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -37.68 -50.43 1.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 m -124.28 35.65 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -128.08 163.22 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 m -82.55 132.23 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CB ' HD13 ' A' ' 43' ' ' LEU . 29.0 p90 -150.54 -177.24 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.783 HG21 ' CD2' ' A' ' 61' ' ' TYR . 5.3 t -133.21 115.13 13.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . 15.4 t0 -105.0 -178.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -42.25 96.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 44.19 27.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.88 128.84 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 111.06 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -100.8 108.37 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.5 m-85 -115.31 131.12 57.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.588 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.8 166.65 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.592 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 t -34.97 -55.04 1.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.0 Cg_endo -69.83 -53.08 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 9.5 m -53.94 -18.87 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.783 ' CD2' HG21 ' A' ' 49' ' ' VAL . 69.2 t80 -94.0 -54.27 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.16 -25.35 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -79.96 -45.04 19.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -64.25 -38.44 91.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 61' ' ' TYR . 16.4 m-85 -86.25 17.31 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.23 -179.94 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.6 m -120.19 157.34 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.06 170.75 26.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.79 19.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.362 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 m -81.61 127.83 33.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 p -103.06 -51.02 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -141.09 173.51 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -115.19 112.81 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.58 101.7 0.17 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m -82.73 42.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 p -175.13 131.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.17 152.44 23.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.516 ' N ' HG23 ' A' ' 15' ' ' VAL . 31.7 t -65.1 140.13 58.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.47 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 39.5 t -92.44 -12.59 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.93 -62.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 p -93.35 -33.34 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.61 -14.8 35.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.47 -178.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.419 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.6 m -102.59 101.79 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.527 HG22 ' CE1' ' A' ' 30' ' ' HIS . 21.8 t -68.6 98.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.6 mmt -67.35 148.49 98.71 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.522 0.677 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -35.05 13.34 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.56 42.55 2.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -165.94 135.77 3.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -38.45 121.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' HB2' HG11 ' A' ' 15' ' ' VAL . 36.9 pttt -148.46 173.34 13.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 6.9 mt -131.77 151.5 51.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -150.03 115.43 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 14.4 m-85 -134.5 137.62 44.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.27 6.6 7.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.69 -36.75 3.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.603 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.3 mm100 -66.36 177.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 96.5 m -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.603 ' CH2' ' HB2' ' A' ' 27' ' ' GLN . 28.6 m-90 -126.04 149.7 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' HG22 ' A' ' 15' ' ' VAL . 21.1 m80 -72.66 145.35 47.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -51.7 -14.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -110.32 -15.43 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -91.17 -38.26 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 23.4 t80 -65.53 98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 42' ' ' PRO . 8.5 mt -118.03 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 56' ' ' TYR . 21.8 t -90.83 148.01 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.543 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -87.34 22.66 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.36 -52.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.35 -2.72 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 59.2 38.39 23.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -98.89 148.7 34.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HA ' HD23 ' A' ' 35' ' ' LEU . 53.6 Cg_endo -69.81 96.43 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.315 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.679 HD13 ' CB ' ' A' ' 48' ' ' PHE . 49.0 mt -77.73 2.74 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.555 ' HA2' HD11 ' A' ' 22' ' ' LEU . . . -65.03 -4.77 16.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.3 p -123.55 -41.58 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HG3' ' HA ' ' A' ' 43' ' ' LEU . 4.2 ptt-85 -96.58 159.86 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -69.72 170.03 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.679 ' CB ' HD13 ' A' ' 43' ' ' LEU . 43.4 p90 -167.7 -178.21 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 61' ' ' TYR . 2.9 t -136.03 115.02 10.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.85 58.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -162.04 114.79 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 46.92 45.4 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.31 -20.9 5.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.86 129.37 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 6.1 m80 -101.14 108.47 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 37' ' ' SER . 73.8 m-85 -111.36 129.67 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.602 ' SG ' ' HG2' ' A' ' 59' ' ' PRO . 5.8 p -62.51 165.38 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.4 t -34.55 -54.53 0.94 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.714 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.602 ' HG2' ' SG ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.82 -52.45 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m -54.23 -18.74 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.705 ' CE2' HG11 ' A' ' 49' ' ' VAL . 70.6 t80 -93.87 -54.09 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 50.9 mt-10 -63.44 -22.13 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -80.04 -48.54 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 5.3 ptmt -62.88 -31.38 72.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 40.6 m-85 -99.03 15.63 25.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -83.72 75.45 10.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 t 39.53 42.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.72 127.01 7.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.5 t -132.71 146.17 51.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -103.96 -43.14 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.47 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_