data_2wh9_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 2wh9 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.439 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -83.12 111.97 3.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.244 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.53 -136.53 6.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.79 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.07 -22.92 60.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.261 . . . . 0.0 111.351 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.2 79.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.64 119.75 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -51.87 119.75 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.69 161.62 31.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.93 -141.96 9.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -80.02 91.65 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.26 32.7 1.76 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.206 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -137.99 168.49 16.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -84.93 174.31 7.48 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.01 2.473 . . . . 0.0 112.221 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.25 153.06 22.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -79.32 160.18 26.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HB3' ' HD1' ' A' ' 22' ' ' TYR . 21.4 m -60.63 163.53 8.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.13 -21.26 27.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.555 2.17 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -96.64 -33.12 11.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.297 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.451 ' HD1' ' HB3' ' A' ' 19' ' ' CYS . 59.0 m-85 -97.22 156.31 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -144.82 156.72 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 t -82.01 115.74 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.6 t -60.37 142.12 90.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.62 -37.24 7.36 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.542 2.161 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG2' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pttp -79.95 -44.67 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CD1' ' HG2' ' A' ' 27' ' ' LYS . 53.8 m95 -112.86 135.86 53.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 65.71 3.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mt -143.05 145.71 33.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.1 m -87.16 117.12 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -148.77 176.61 10.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -59.45 157.01 27.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 C--N 1.345 0.362 0 C-N-CA 122.473 2.116 . . . . 0.0 112.256 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -72.32 107.16 2.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.31 -142.63 6.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.552 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -69.58 -23.62 63.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.672 0.272 . . . . 0.0 111.214 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.0 78.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.98 116.07 29.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -51.96 110.02 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.219 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -117.08 142.38 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.95 -146.99 8.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.99 113.19 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.826 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.52 40.94 3.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.271 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.09 175.92 2.89 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -85.42 -170.74 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.046 2.498 . . . . 0.0 112.213 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.94 167.84 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.3 150.62 24.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.4 m -59.57 171.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 33.4 Cg_exo -58.84 -25.58 77.17 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.769 2.313 . . . . 0.0 112.458 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -38.93 24.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.431 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 13.6 m-85 -103.5 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 111.24 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.4 m -159.79 157.21 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -79.93 117.53 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.55 141.8 91.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.35 -38.06 16.12 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.245 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -79.97 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -96.73 146.03 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.56 65.68 3.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mt -141.86 143.55 33.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.2 m -84.71 124.39 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -150.76 -177.44 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -66.98 159.01 78.84 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 C--N 1.344 0.29 0 C-N-CA 122.587 2.192 . . . . 0.0 112.338 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.817 0.342 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.07 -179.89 48.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.21 -130.22 1.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.19 -31.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.423 ' CE2' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.13 73.86 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -113.49 122.86 48.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -52.64 130.66 32.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 p -139.13 142.36 38.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.6 -153.67 19.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -80.0 93.22 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.0 28.95 3.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.241 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -142.0 164.66 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.685 0.279 . . . . 0.0 110.739 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 142.75 85.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.474 2.116 . . . . 0.0 112.246 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.67 166.84 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.46 149.68 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.456 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 4.4 m -72.09 169.23 17.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 50.0 Cg_exo -55.26 -25.05 45.01 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.708 2.272 . . . . 0.0 112.49 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -25.07 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.331 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -118.4 178.37 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.066 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.9 m -156.36 157.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 t -81.9 120.02 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.8 142.72 71.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.21 -40.69 0.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -80.03 -39.63 29.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -106.27 -178.48 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.05 50.04 0.85 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 8' ' ' TRP . 2.5 mt -135.12 157.2 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.8 m -97.58 131.13 44.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.768 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -150.02 176.96 10.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -61.1 157.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 C--N 1.344 0.292 0 C-N-CA 122.528 2.152 . . . . 0.0 112.261 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.794 0.33 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.08 112.73 3.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.54 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.41 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.2 -141.94 7.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.576 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.99 -24.97 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.681 0.277 . . . . 0.0 111.204 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -157.31 79.19 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.059 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.1 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.67 124.45 9.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -129.74 142.48 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.95 -147.52 11.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -80.09 97.01 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.72 30.78 2.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.335 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.43 170.39 8.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.322 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -84.91 161.4 11.91 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.018 2.478 . . . . 0.0 112.217 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 161.99 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -81.52 149.18 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.1 m -59.68 173.76 0.5 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 33.2 Cg_exo -60.48 -22.81 73.25 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.739 2.293 . . . . 0.0 112.62 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -88.53 -32.84 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 21.2 m-85 -106.87 168.75 8.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 111.311 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.16 158.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -79.9 110.23 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 t -60.85 142.09 92.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.54 -31.41 17.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.573 2.182 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -80.02 -51.29 9.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -110.25 139.08 45.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.97 62.21 4.23 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.36 155.28 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.2 m -91.75 122.08 33.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -149.44 -175.08 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -59.91 153.74 52.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo . . . . . 0 C--N 1.344 0.297 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -97.77 134.9 11.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -103.84 -135.26 8.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 33' ' ' PHE . 16.3 t80 -71.56 -26.7 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.665 0.269 . . . . 0.0 111.351 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -159.96 67.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.23 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.41 ' CG ' ' HA3' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -89.57 -173.52 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.246 179.411 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -114.43 107.1 15.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 p -114.17 142.18 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.9 -150.9 20.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -80.12 94.51 6.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.33 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.31 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -144.25 170.57 8.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 161.19 11.8 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.037 2.492 . . . . 0.0 112.182 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.96 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 m -75.09 150.2 38.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -59.64 175.21 0.38 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 23.6 Cg_exo -62.94 -18.89 67.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.847 2.365 . . . . 0.0 112.704 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -95.04 -27.21 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.662 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 12.5 m-85 -112.46 160.94 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 0.0 111.292 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -143.6 161.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -79.81 116.68 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -58.11 144.15 76.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.93 -37.51 19.45 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.265 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -79.94 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -86.55 156.45 20.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.05 54.5 1.85 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.651 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 9' ' ' TRP . 1.1 mp -130.48 165.87 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.941 0.401 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -104.33 120.04 40.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -142.76 -175.73 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 7' ' ' PHE . 31.0 m-85 -60.77 155.28 52.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 C--N 1.344 0.334 0 C-N-CA 122.629 2.219 . . . . 0.0 112.273 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -82.91 134.57 13.0 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -106.93 -136.91 8.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.64 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 18.2 t80 -67.21 -26.96 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.665 0.269 . . . . 0.0 111.334 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.71 79.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -119.03 122.46 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.82 128.5 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -130.8 142.41 50.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.28 -148.98 18.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.3 m -79.92 96.29 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.39 29.9 2.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.251 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 171.47 6.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -84.81 155.85 11.7 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.998 2.465 . . . . 0.0 112.237 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.87 163.5 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.214 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.46 140.98 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.412 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.2 m -59.93 172.83 0.63 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 34.7 Cg_exo -58.96 -23.94 70.66 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.761 2.307 . . . . 0.0 112.531 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.9 -26.75 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 8.5 m-85 -114.43 173.66 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 111.148 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -156.84 156.9 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.6 t -81.55 116.2 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.81 143.65 76.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.44 -35.55 2.78 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.618 2.212 . . . . 0.0 112.382 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -79.99 -42.05 24.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -107.46 -175.87 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.23 51.15 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.204 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -134.74 154.3 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 0.0 111.162 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -93.43 127.18 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.672 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -149.52 -178.01 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 65.5 m-85 -69.63 147.67 96.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo . . . . . 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.282 179.889 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -82.6 130.79 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -102.84 -138.84 10.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.604 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 15.5 t80 -66.77 -25.97 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.61 0.243 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.408 ' CZ2' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.12 78.24 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 111.126 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -118.7 120.13 36.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -50.3 126.3 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -131.87 142.39 49.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.77 -153.45 14.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -80.03 94.12 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.9 30.8 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -143.54 162.5 41.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.659 0.266 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.0 147.6 84.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.512 2.141 . . . . 0.0 112.198 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.98 22.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.22 140.45 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.2 m -59.14 172.69 0.53 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 32.4 Cg_exo -58.72 -26.35 79.39 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.774 2.316 . . . . 0.0 112.444 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -25.53 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.48 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 13.1 m-85 -117.13 176.27 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.6 m -159.98 158.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.87 115.36 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.5 t -57.41 145.32 68.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.76 -36.65 2.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.613 2.209 . . . . 0.0 112.249 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -80.98 -45.62 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -104.15 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.78 51.01 0.73 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD11 ' CZ2' ' A' ' 8' ' ' TRP . 1.4 mt -134.23 155.88 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.086 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m -92.97 126.8 38.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -150.34 -177.12 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 15.3 m-85 -61.22 146.54 88.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo . . . . . 0 C--N 1.344 0.336 0 C-N-CA 122.412 2.075 . . . . 0.0 112.33 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.767 0.317 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -75.72 111.14 3.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -85.82 -144.58 7.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.37 -24.49 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.27 . . . . 0.0 111.214 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.19 78.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.014 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -115.69 119.47 36.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -51.19 120.56 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.257 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.65 142.42 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.44 -151.93 17.62 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -80.08 84.56 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.94 -23.57 2.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.299 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -96.11 168.87 9.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.736 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -84.51 169.21 11.03 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.957 2.438 . . . . 0.0 112.239 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.93 160.33 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -80.62 150.53 29.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.416 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.2 m -61.15 173.11 0.75 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 35.2 Cg_exo -59.22 -19.36 49.49 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.775 2.316 . . . . 0.0 112.625 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -93.77 -36.95 12.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.47 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 29.5 m-85 -100.09 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.0 m -146.47 155.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 t -80.08 110.84 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -59.35 141.31 87.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.39 -37.71 7.32 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.52 2.146 . . . . 0.0 112.362 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -42.36 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -112.47 134.54 53.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.01 60.18 4.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mt -142.34 153.66 44.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -91.86 127.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -154.75 175.69 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -62.67 155.91 67.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo . . . . . 0 C--N 1.345 0.363 0 C-N-CA 122.575 2.183 . . . . 0.0 112.254 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.415 ' HA3' ' CG ' ' A' ' 9' ' ' TRP . . . -100.97 164.8 18.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -135.83 -128.03 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.425 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 13.8 t80 -69.43 -31.55 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.069 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.423 ' CZ2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 78.03 0.66 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.415 ' CG ' ' HA3' ' A' ' 5' ' ' GLY . 6.7 m95 -111.32 124.86 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -57.95 119.58 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.73 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.08 -149.58 16.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -80.71 89.13 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.77 29.79 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -144.76 162.57 37.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.675 0.274 . . . . 0.0 110.784 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.04 149.81 71.91 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.459 2.106 . . . . 0.0 112.276 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 164.22 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.056 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -82.56 143.69 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' CB ' ' HD3' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -59.51 168.93 1.53 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.434 ' HD3' ' CB ' ' A' ' 19' ' ' CYS . 24.6 Cg_endo -62.12 -15.99 47.57 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.363 2.042 . . . . 0.0 112.483 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.41 -24.79 20.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 3.5 m-85 -117.3 169.46 9.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -143.44 159.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.5 t -79.96 124.08 28.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.74 139.04 69.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.15 -45.93 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -80.16 -47.85 14.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -93.09 -175.55 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.17 47.96 0.99 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD13 ' CZ2' ' A' ' 8' ' ' TRP . 1.3 mt -132.24 155.26 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 111.055 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.7 m -97.97 123.07 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -137.36 179.03 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 72.0 m-85 -60.54 157.2 38.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo . . . . . 0 C--N 1.344 0.299 0 C-N-CA 122.577 2.184 . . . . 0.0 112.272 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -81.85 112.72 3.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.487 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.82 -144.53 6.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -69.51 -19.41 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.587 0.232 . . . . 0.0 111.181 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.0 76.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 111.018 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.19 118.53 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -49.89 123.61 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.266 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.94 142.44 51.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 -151.8 15.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 m -80.04 84.01 5.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.81 -23.48 2.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.197 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.76 168.38 11.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.722 0.296 . . . . 0.0 110.756 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -84.5 171.28 9.96 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.932 2.421 . . . . 0.0 112.249 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 155.65 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -76.45 153.08 35.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.693 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -60.05 174.75 0.44 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.938 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 30.2 Cg_exo -60.86 -21.84 71.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.772 2.315 . . . . 0.0 112.658 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.33 -33.37 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.559 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 34.0 m-85 -103.0 162.94 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 111.295 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -152.34 160.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.88 110.36 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 t -61.71 143.0 94.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.69 -34.04 12.1 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.94 -47.72 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -111.49 136.26 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.95 61.99 4.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -142.78 157.37 44.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.5 m -92.17 120.88 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -154.4 -174.29 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -60.14 155.5 44.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo . . . . . 0 C--N 1.345 0.36 0 C-N-CA 122.598 2.199 . . . . 0.0 112.214 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.788 0.328 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -79.73 121.59 5.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.406 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.98 -144.8 15.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.627 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.6 -25.2 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.298 . . . . 0.0 111.317 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.411 ' CD2' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.76 118.55 36.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -53.42 111.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -116.86 142.42 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.93 -145.61 6.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -84.22 92.08 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.87 33.12 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.424 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -144.93 155.59 55.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.53 161.63 45.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.255 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 165.14 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -79.37 161.54 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.708 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -68.83 174.69 2.49 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 34.0 Cg_exo -59.04 -20.78 55.51 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.814 2.343 . . . . 0.0 112.604 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -95.19 -38.56 10.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.48 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 50.3 m-85 -95.95 159.61 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 111.242 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 m -147.96 155.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.8 t -79.92 113.95 18.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -60.06 140.77 90.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.83 -37.79 14.98 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.554 2.17 . . . . 0.0 112.395 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -80.03 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -109.05 139.87 43.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.01 64.78 4.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mp -142.27 141.83 32.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 0.0 111.018 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.7 m -83.54 123.96 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.757 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -150.53 -177.98 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -69.36 155.4 93.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.344 0.317 0 C-N-CA 122.635 2.223 . . . . 0.0 112.231 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.682 0.277 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -94.01 119.74 6.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.15 -133.7 6.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.66 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -76.89 -25.46 53.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.69 0.281 . . . . 0.0 111.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 64.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.439 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.7 -175.27 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.485 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -118.99 104.83 10.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -117.58 142.3 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.8 -148.61 9.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 p -80.2 95.64 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.4 29.16 3.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -142.98 170.91 7.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -84.87 165.16 11.74 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.305 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.33 165.51 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.059 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.84 169.08 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.659 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.425 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -68.85 175.5 1.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 26.2 Cg_exo -61.73 -23.13 75.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.807 2.338 . . . . 0.0 112.664 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -35.59 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.593 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 52.5 m-85 -99.55 157.28 16.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.32 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.96 158.9 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.7 t -80.01 118.83 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 143.17 98.26 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.022 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.79 -35.09 16.79 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -79.94 -67.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -90.64 140.56 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.53 58.89 4.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.626 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' TRP . 1.1 mt -136.25 163.41 30.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.912 0.387 . . . . 0.0 111.039 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.33 119.05 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -136.6 -179.47 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -59.7 154.7 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--N 1.344 0.327 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.831 0.348 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.45 122.89 5.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.16 -133.63 8.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -71.64 -26.72 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 111.377 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.422 ' CE2' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -158.37 77.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 111.19 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -112.76 122.05 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -53.98 114.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -118.53 142.8 47.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.5 -144.42 10.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.438 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.02 94.25 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.345 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.88 33.82 1.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.429 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 153.67 23.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.98 166.26 28.45 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.588 2.192 . . . . 0.0 112.331 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 163.91 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -79.3 146.86 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.773 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -57.36 168.37 0.99 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 19' ' ' CYS . 27.4 Cg_endo -62.47 -15.61 46.61 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.45 2.1 . . . . 0.0 112.471 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.44 -26.32 18.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 13.2 m-85 -114.57 168.12 10.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.854 0.359 . . . . 0.0 111.027 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.0 157.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 t -85.13 117.58 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.26 142.04 96.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.62 -38.43 4.4 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.528 2.152 . . . . 0.0 112.336 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -80.03 -43.51 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -112.22 135.32 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 63.26 4.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 8' ' ' TRP . 1.1 mt -140.74 149.15 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -92.76 124.95 37.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -152.16 169.45 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -60.03 156.22 38.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 C--N 1.344 0.339 0 C-N-CA 122.563 2.176 . . . . 0.0 112.394 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.4 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.92 117.38 4.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.11 -141.9 7.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.542 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -68.76 -24.92 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.688 0.28 . . . . 0.0 111.306 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.413 ' CD2' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -157.99 76.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 0.0 111.104 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.4 ' CE3' ' O ' ' A' ' 4' ' ' CYS . 2.0 m95 -114.37 124.73 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -48.11 131.02 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.388 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -146.17 142.41 28.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.65 -140.33 7.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.1 m -79.91 86.55 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 29.27 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.169 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -143.97 168.15 13.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.755 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -85.14 160.37 11.48 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.06 2.507 . . . . 0.0 112.182 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.18 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.14 -172.99 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.3 m -100.46 171.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 52.2 Cg_exo -54.99 -21.82 28.28 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.635 2.223 . . . . 0.0 112.438 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -87.88 -46.82 9.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.268 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 9.4 m-85 -93.79 175.82 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 111.039 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.0 m -156.95 155.23 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 t -80.48 118.21 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -57.7 143.67 75.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.7 -37.03 3.25 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.566 2.177 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -85.25 -45.19 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -101.61 164.5 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.15 59.55 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mt -141.3 153.81 45.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.7 m -95.75 123.8 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.719 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.59 173.84 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.418 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 81.0 m-85 -62.91 153.36 80.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--N 1.345 0.354 0 C-N-CA 122.59 2.193 . . . . 0.0 112.331 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.774 0.321 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.86 118.34 5.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.427 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -90.42 -135.2 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 111.22 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.33 78.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -115.91 119.09 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -53.13 116.46 2.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.44 142.51 49.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.9 -144.54 9.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.94 97.03 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.13 31.75 1.82 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.69 169.87 8.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -85.33 167.83 10.38 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.087 2.525 . . . . 0.0 112.258 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 159.52 26.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.57 147.36 35.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' CB ' ' HD3' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -56.93 168.11 0.92 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.695 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' A' ' 19' ' ' CYS . 28.5 Cg_endo -62.93 -15.45 47.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.436 2.091 . . . . 0.0 112.441 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -90.74 -25.96 19.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 14.1 m-85 -118.53 175.78 5.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.999 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 m -156.35 160.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.98 113.92 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -60.89 142.09 92.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.0 -37.15 6.52 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.491 2.127 . . . . 0.0 112.283 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.0 -50.96 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.15 136.99 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 64.63 3.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.04 151.61 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.6 m -92.29 121.61 33.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -148.52 173.47 13.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -59.59 158.56 21.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--N 1.344 0.325 0 C-N-CA 122.566 2.178 . . . . 0.0 112.332 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -85.94 103.87 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.587 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.74 -135.5 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.579 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -68.04 -29.54 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.279 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.404 ' CD2' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.76 0.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.082 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.39 123.88 48.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -50.96 122.24 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.37 143.59 50.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.55 -149.55 18.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -80.08 83.66 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.93 -22.64 1.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.454 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -105.56 157.42 34.57 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.23 176.78 5.92 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.6 2.2 . . . . 0.0 112.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.14 158.98 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.37 152.56 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.48 163.69 4.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.27 -15.13 42.64 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.472 2.115 . . . . 0.0 112.627 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -90.71 -26.17 19.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.351 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 2.4 m-85 -115.49 164.46 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.183 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 m -137.54 156.86 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.43 123.85 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.71 141.78 94.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.15 -46.99 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.561 2.174 . . . . 0.0 112.347 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -80.03 -43.39 21.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -103.8 132.06 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 62.48 4.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' CD2' ' A' ' 8' ' ' TRP . 1.2 mt -141.3 146.98 37.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.7 m -89.94 127.74 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -154.3 168.45 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 53.9 m-85 -62.01 160.3 30.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 C--N 1.343 0.281 0 C-N-CA 122.648 2.232 . . . . 0.0 112.045 179.817 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.88 0.371 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -70.47 110.68 3.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.559 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.88 -134.88 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 17.2 t80 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.03 83.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.038 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -120.8 116.32 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -48.1 129.03 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.286 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -135.45 142.45 45.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.11 -145.26 8.78 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 99.91 7.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.66 28.92 3.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 170.87 7.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.89 174.31 7.52 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 112.176 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.16 154.86 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.736 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -58.11 162.14 6.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.9 -18.43 34.87 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.526 2.15 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -85.4 -30.53 23.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 12.2 m-85 -115.66 176.08 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.112 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.3 m -157.33 160.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -80.0 109.73 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 143.34 80.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.87 -37.32 3.79 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.656 2.238 . . . . 0.0 112.277 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -79.96 -34.48 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -124.56 134.6 52.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.96 62.58 4.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.47 151.74 42.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.13 123.3 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -153.27 179.87 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 68.7 m-85 -59.58 154.37 45.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.322 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -88.3 100.87 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.73 -132.59 3.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.548 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -73.93 -28.51 61.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.98 78.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.048 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.71 121.31 42.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.45 121.34 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -132.41 144.74 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.4 -149.92 12.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -80.02 85.43 5.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.01 -23.62 2.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -100.09 161.46 24.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.305 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.46 175.62 7.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.267 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.46 157.84 20.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -78.34 153.13 31.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.31 163.66 4.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.52 -16.2 46.21 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.503 2.136 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.191 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 10.0 m-85 -120.13 173.59 7.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.378 . . . . 0.0 111.062 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 m -149.4 160.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 t -79.83 118.55 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -59.61 143.4 86.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.67 -44.82 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.03 -50.1 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -99.29 133.71 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.93 60.13 4.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -140.1 154.69 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.01 125.84 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -151.54 -176.13 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -65.74 152.38 93.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--N 1.345 0.351 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.7 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.802 0.334 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.406 ' HA3' ' CG ' ' A' ' 9' ' ' TRP . . . -71.01 124.13 11.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.317 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -136.39 9.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.771 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -67.81 -27.65 66.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 111.258 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.408 ' CZ2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.51 80.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.406 ' CG ' ' HA3' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -107.28 119.86 40.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -52.19 106.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.65 142.55 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 -157.01 18.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.545 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -79.96 82.6 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.72 -20.51 2.72 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.421 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.57 159.72 33.04 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.48 173.84 6.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.56 173.54 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.47 176.83 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.766 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 22' ' ' TYR . 5.5 m -81.64 168.02 27.23 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.628 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.4 -23.0 22.72 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.331 2.021 . . . . 0.0 112.085 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.83 -50.77 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.447 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 22.6 m-85 -79.88 153.28 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.7 m -141.49 156.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 111.273 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.1 t -85.74 124.09 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.767 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -57.17 143.78 71.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.7 -30.56 7.59 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.579 2.186 . . . . 0.0 112.229 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -96.23 -33.36 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -110.39 168.93 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.54 59.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD13 ' CZ2' ' A' ' 8' ' ' TRP . 1.1 mt -141.04 138.92 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.999 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.3 m -84.49 117.79 23.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.27 164.94 28.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.802 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 35.2 m-85 -58.27 159.11 12.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.344 0.299 0 C-N-CA 122.54 2.16 . . . . 0.0 112.279 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -81.56 115.79 4.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -99.11 -134.52 8.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.586 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.49 -28.61 65.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 111.25 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.408 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.18 79.66 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.204 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -116.41 119.79 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -50.86 122.05 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -131.77 142.28 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.74 -138.05 6.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -80.0 88.87 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 30.43 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.396 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -150.2 166.79 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -84.93 164.1 11.75 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.049 2.499 . . . . 0.0 112.277 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 162.83 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.3 150.14 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 4.4 m -60.37 169.4 1.75 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.438 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 37.5 Cg_exo -56.93 -23.45 51.52 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.706 2.271 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -84.11 -40.58 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.281 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 10.3 m-85 -100.18 173.65 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.39 . . . . 0.0 111.155 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 m -157.22 159.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.0 t -79.97 118.76 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -57.78 142.23 78.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.38 -33.72 10.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.595 2.197 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -88.67 -42.73 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -109.53 145.87 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.6 60.4 3.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.2 mp -142.38 153.4 43.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -91.68 122.29 34.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.772 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.95 -177.19 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -60.06 157.07 33.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo . . . . . 0 C--N 1.345 0.358 0 C-N-CA 122.598 2.199 . . . . 0.0 112.297 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.21 109.88 2.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.31 31.21 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.736 0.303 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 t -63.25 160.81 14.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.439 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -83.12 111.97 3.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.244 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.53 -136.53 6.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.79 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.07 -22.92 60.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.261 . . . . 0.0 111.351 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.2 79.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.64 119.75 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -51.87 119.75 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.69 161.62 31.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.93 -141.96 9.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -80.02 91.65 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.26 32.7 1.76 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.206 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -137.99 168.49 16.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -84.93 174.31 7.48 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.01 2.473 . . . . 0.0 112.221 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.25 153.06 22.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -79.32 160.18 26.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HB3' ' HD1' ' A' ' 22' ' ' TYR . 21.4 m -60.63 163.53 8.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.13 -21.26 27.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.555 2.17 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -96.64 -33.12 11.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.297 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.451 ' HD1' ' HB3' ' A' ' 19' ' ' CYS . 59.0 m-85 -97.22 156.31 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -144.82 156.72 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 t -82.01 115.74 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.6 t -60.37 142.12 90.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.62 -37.24 7.36 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.542 2.161 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG2' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pttp -79.95 -44.67 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CD1' ' HG2' ' A' ' 27' ' ' LYS . 53.8 m95 -112.86 135.86 53.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 65.71 3.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mt -143.05 145.71 33.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.1 m -87.16 117.12 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -148.77 176.61 10.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -59.45 157.01 27.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.46 -30.6 29.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.473 2.116 . . . . 0.0 112.256 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.2 ptm -178.7 145.1 0.47 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.444 2.096 . . . . 0.0 112.271 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.82 39.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.572 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -61.74 -47.96 82.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.64 -169.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.771 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -72.32 107.16 2.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.31 -142.63 6.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.552 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -69.58 -23.62 63.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.672 0.272 . . . . 0.0 111.214 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.0 78.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.98 116.07 29.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -51.96 110.02 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.219 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -117.08 142.38 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.95 -146.99 8.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.99 113.19 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.826 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.52 40.94 3.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.271 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.09 175.92 2.89 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -85.42 -170.74 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.046 2.498 . . . . 0.0 112.213 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.94 167.84 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.3 150.62 24.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.4 m -59.57 171.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 33.4 Cg_exo -58.84 -25.58 77.17 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.769 2.313 . . . . 0.0 112.458 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -38.93 24.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.431 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 13.6 m-85 -103.5 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 111.24 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.4 m -159.79 157.21 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -79.93 117.53 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.55 141.8 91.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.35 -38.06 16.12 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.245 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -79.97 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -96.73 146.03 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.56 65.68 3.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mt -141.86 143.55 33.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.2 m -84.71 124.39 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -150.76 -177.44 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -66.98 159.01 78.84 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.43 106.74 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.587 2.192 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.1 tpt 60.19 88.91 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.599 2.199 . . . . 0.0 112.241 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.766 0.317 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.64 -151.83 5.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -113.5 30.78 6.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.45 169.49 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.07 -179.89 48.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.21 -130.22 1.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.19 -31.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.423 ' CE2' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.13 73.86 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -113.49 122.86 48.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -52.64 130.66 32.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 p -139.13 142.36 38.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.6 -153.67 19.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -80.0 93.22 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.0 28.95 3.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.241 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -142.0 164.66 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.685 0.279 . . . . 0.0 110.739 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 142.75 85.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.474 2.116 . . . . 0.0 112.246 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.67 166.84 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.46 149.68 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.456 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 4.4 m -72.09 169.23 17.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 50.0 Cg_exo -55.26 -25.05 45.01 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.708 2.272 . . . . 0.0 112.49 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -25.07 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.331 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -118.4 178.37 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.066 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.9 m -156.36 157.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 t -81.9 120.02 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.8 142.72 71.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.21 -40.69 0.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -80.03 -39.63 29.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -106.27 -178.48 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.05 50.04 0.85 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 8' ' ' TRP . 2.5 mt -135.12 157.2 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.8 m -97.58 131.13 44.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.768 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -150.02 176.96 10.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -61.1 157.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.34 133.4 24.41 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.528 2.152 . . . . 0.0 112.261 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.4 ttt 61.08 80.81 0.25 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.249 1.051 0 C-N-CA 122.595 2.197 . . . . 0.0 112.294 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.49 -141.03 7.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.28 168.13 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.1 p -61.14 -173.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.08 112.73 3.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.54 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.41 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.2 -141.94 7.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.576 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.99 -24.97 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.681 0.277 . . . . 0.0 111.204 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -157.31 79.19 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.059 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.1 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.67 124.45 9.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -129.74 142.48 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.95 -147.52 11.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -80.09 97.01 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.72 30.78 2.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.335 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.43 170.39 8.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.322 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -84.91 161.4 11.91 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.018 2.478 . . . . 0.0 112.217 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 161.99 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -81.52 149.18 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.1 m -59.68 173.76 0.5 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 33.2 Cg_exo -60.48 -22.81 73.25 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.739 2.293 . . . . 0.0 112.62 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -88.53 -32.84 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 21.2 m-85 -106.87 168.75 8.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 111.311 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.16 158.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -79.9 110.23 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 t -60.85 142.09 92.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.54 -31.41 17.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.573 2.182 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -80.02 -51.29 9.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -110.25 139.08 45.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.97 62.21 4.23 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.36 155.28 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.2 m -91.75 122.08 33.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -149.44 -175.08 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -59.91 153.74 52.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.8 156.75 43.9 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -131.94 142.52 45.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.45 2.1 . . . . 0.0 112.282 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.834 0.349 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.02 -26.32 25.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.584 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -136.0 47.63 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.99 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 p -110.94 -164.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -97.77 134.9 11.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -103.84 -135.26 8.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 33' ' ' PHE . 16.3 t80 -71.56 -26.7 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.665 0.269 . . . . 0.0 111.351 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -159.96 67.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.23 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.41 ' CG ' ' HA3' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -89.57 -173.52 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.246 179.411 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -114.43 107.1 15.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 p -114.17 142.18 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.9 -150.9 20.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -80.12 94.51 6.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.33 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.31 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -144.25 170.57 8.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 161.19 11.8 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.037 2.492 . . . . 0.0 112.182 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.96 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 m -75.09 150.2 38.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -59.64 175.21 0.38 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 23.6 Cg_exo -62.94 -18.89 67.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.847 2.365 . . . . 0.0 112.704 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -95.04 -27.21 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.662 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 12.5 m-85 -112.46 160.94 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 0.0 111.292 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -143.6 161.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -79.81 116.68 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -58.11 144.15 76.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.93 -37.51 19.45 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.265 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -79.94 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -86.55 156.45 20.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.05 54.5 1.85 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.651 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 9' ' ' TRP . 1.1 mp -130.48 165.87 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.941 0.401 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -104.33 120.04 40.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -142.76 -175.73 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 7' ' ' PHE . 31.0 m-85 -60.77 155.28 52.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.88 93.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.629 2.219 . . . . 0.0 112.273 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.1 tpp 56.82 89.32 0.11 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.535 2.156 . . . . 0.0 112.296 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.66 118.07 1.13 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -152.89 133.21 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p -62.23 -171.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -82.91 134.57 13.0 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -106.93 -136.91 8.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.64 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 18.2 t80 -67.21 -26.96 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.665 0.269 . . . . 0.0 111.334 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.71 79.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -119.03 122.46 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.82 128.5 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -130.8 142.41 50.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.28 -148.98 18.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.3 m -79.92 96.29 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.39 29.9 2.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.251 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 171.47 6.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -84.81 155.85 11.7 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.998 2.465 . . . . 0.0 112.237 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.87 163.5 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.214 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.46 140.98 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.412 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.2 m -59.93 172.83 0.63 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 34.7 Cg_exo -58.96 -23.94 70.66 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.761 2.307 . . . . 0.0 112.531 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.9 -26.75 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 8.5 m-85 -114.43 173.66 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 111.148 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -156.84 156.9 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.6 t -81.55 116.2 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.81 143.65 76.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.44 -35.55 2.78 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.618 2.212 . . . . 0.0 112.382 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -79.99 -42.05 24.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -107.46 -175.87 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.23 51.15 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.204 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -134.74 154.3 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 0.0 111.162 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -93.43 127.18 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.672 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -149.52 -178.01 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 65.5 m-85 -69.63 147.67 96.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.61 165.87 30.65 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.282 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.0 mtt -92.95 144.61 28.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.531 2.154 . . . . 0.0 112.338 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.873 0.368 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.85 86.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -112.39 126.1 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 p -109.47 -171.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -82.6 130.79 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -102.84 -138.84 10.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.604 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 15.5 t80 -66.77 -25.97 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.61 0.243 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.408 ' CZ2' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.12 78.24 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 111.126 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -118.7 120.13 36.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -50.3 126.3 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -131.87 142.39 49.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.77 -153.45 14.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -80.03 94.12 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.9 30.8 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -143.54 162.5 41.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.659 0.266 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.0 147.6 84.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.512 2.141 . . . . 0.0 112.198 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.98 22.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.22 140.45 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.2 m -59.14 172.69 0.53 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 32.4 Cg_exo -58.72 -26.35 79.39 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.774 2.316 . . . . 0.0 112.444 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -25.53 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.48 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 13.1 m-85 -117.13 176.27 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.6 m -159.98 158.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.977 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.87 115.36 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.5 t -57.41 145.32 68.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.76 -36.65 2.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.613 2.209 . . . . 0.0 112.249 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -80.98 -45.62 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -104.15 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.78 51.01 0.73 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD11 ' CZ2' ' A' ' 8' ' ' TRP . 1.4 mt -134.23 155.88 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.086 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m -92.97 126.8 38.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -150.34 -177.12 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 15.3 m-85 -61.22 146.54 88.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -65.39 -72.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.412 2.075 . . . . 0.0 112.33 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.3 mtt -157.8 145.07 13.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.557 2.171 . . . . 0.0 112.336 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.852 0.358 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.04 -28.17 17.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -86.55 -32.26 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.8 p -77.14 -172.08 2.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -75.72 111.14 3.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -85.82 -144.58 7.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.37 -24.49 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.27 . . . . 0.0 111.214 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.19 78.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.014 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -115.69 119.47 36.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -51.19 120.56 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.257 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.65 142.42 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.44 -151.93 17.62 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -80.08 84.56 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.94 -23.57 2.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.299 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -96.11 168.87 9.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.736 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -84.51 169.21 11.03 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.957 2.438 . . . . 0.0 112.239 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.93 160.33 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -80.62 150.53 29.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.416 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.2 m -61.15 173.11 0.75 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 35.2 Cg_exo -59.22 -19.36 49.49 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.775 2.316 . . . . 0.0 112.625 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -93.77 -36.95 12.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.47 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 29.5 m-85 -100.09 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.0 m -146.47 155.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 t -80.08 110.84 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -59.35 141.31 87.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.39 -37.71 7.32 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.52 2.146 . . . . 0.0 112.362 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -42.36 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -112.47 134.54 53.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.01 60.18 4.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mt -142.34 153.66 44.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -91.86 127.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -154.75 175.69 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -62.67 155.91 67.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.38 -39.51 7.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.575 2.183 . . . . 0.0 112.254 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.9 tpp -177.35 135.07 0.38 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.758 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--O 1.249 1.074 0 C-N-CA 122.498 2.132 . . . . 0.0 112.362 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.815 0.34 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.09 113.98 5.66 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -135.6 92.82 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.958 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.6 p -142.34 -165.03 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' HA3' ' CG ' ' A' ' 9' ' ' TRP . . . -100.97 164.8 18.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -135.83 -128.03 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 13.8 t80 -69.43 -31.55 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.069 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.423 ' CZ2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 78.03 0.66 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.415 ' CG ' ' HA3' ' A' ' 5' ' ' GLY . 6.7 m95 -111.32 124.86 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -57.95 119.58 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.73 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.08 -149.58 16.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -80.71 89.13 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.77 29.79 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -144.76 162.57 37.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.675 0.274 . . . . 0.0 110.784 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.04 149.81 71.91 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.459 2.106 . . . . 0.0 112.276 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 164.22 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.056 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -82.56 143.69 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' CB ' ' HD3' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -59.51 168.93 1.53 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.434 ' HD3' ' CB ' ' A' ' 19' ' ' CYS . 24.6 Cg_endo -62.12 -15.99 47.57 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.363 2.042 . . . . 0.0 112.483 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.41 -24.79 20.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 3.5 m-85 -117.3 169.46 9.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -143.44 159.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.5 t -79.96 124.08 28.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.74 139.04 69.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.15 -45.93 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -80.16 -47.85 14.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -93.09 -175.55 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.17 47.96 0.99 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD13 ' CZ2' ' A' ' 8' ' ' TRP . 1.3 mt -132.24 155.26 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 111.055 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.7 m -97.97 123.07 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -137.36 179.03 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 72.0 m-85 -60.54 157.2 38.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.02 94.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.577 2.184 . . . . 0.0 112.272 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.0 tpp -146.89 69.01 11.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.249 1.048 0 C-N-CA 122.571 2.18 . . . . 0.0 112.282 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.817 0.341 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.97 -28.91 13.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.1 -32.29 18.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.0 p -76.07 -171.66 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -81.85 112.72 3.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.487 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.82 -144.53 6.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -69.51 -19.41 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.587 0.232 . . . . 0.0 111.181 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.0 76.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 111.018 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.19 118.53 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -49.89 123.61 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.266 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.94 142.44 51.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 -151.8 15.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 m -80.04 84.01 5.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.81 -23.48 2.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.197 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.76 168.38 11.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.722 0.296 . . . . 0.0 110.756 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -84.5 171.28 9.96 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.932 2.421 . . . . 0.0 112.249 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 155.65 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -76.45 153.08 35.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.693 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -60.05 174.75 0.44 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.938 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 30.2 Cg_exo -60.86 -21.84 71.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.772 2.315 . . . . 0.0 112.658 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.33 -33.37 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.559 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 34.0 m-85 -103.0 162.94 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 111.295 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -152.34 160.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.88 110.36 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 t -61.71 143.0 94.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.69 -34.04 12.1 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.94 -47.72 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -111.49 136.26 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.95 61.99 4.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -142.78 157.37 44.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.5 m -92.17 120.88 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -154.4 -174.29 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -60.14 155.5 44.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.06 -28.09 29.04 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.598 2.199 . . . . 0.0 112.214 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.5 tpt -127.74 87.88 54.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.571 2.18 . . . . 0.0 112.329 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.833 0.349 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.62 54.26 0.74 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -121.15 139.94 52.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.818 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p -61.53 -171.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -79.73 121.59 5.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.406 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.98 -144.8 15.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.627 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.6 -25.2 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.298 . . . . 0.0 111.317 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.411 ' CD2' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.76 118.55 36.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -53.42 111.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -116.86 142.42 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.93 -145.61 6.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -84.22 92.08 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.87 33.12 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.424 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -144.93 155.59 55.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.53 161.63 45.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.255 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 165.14 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -79.37 161.54 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.708 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -68.83 174.69 2.49 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 34.0 Cg_exo -59.04 -20.78 55.51 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.814 2.343 . . . . 0.0 112.604 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -95.19 -38.56 10.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.48 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 50.3 m-85 -95.95 159.61 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 111.242 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 m -147.96 155.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.8 t -79.92 113.95 18.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -60.06 140.77 90.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.83 -37.79 14.98 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.554 2.17 . . . . 0.0 112.395 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -80.03 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -109.05 139.87 43.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.01 64.78 4.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mp -142.27 141.83 32.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 0.0 111.018 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.7 m -83.54 123.96 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.757 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -150.53 -177.98 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -69.36 155.4 93.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.0 146.45 57.89 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.635 2.223 . . . . 0.0 112.231 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mtm 59.01 89.54 0.1 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.563 2.176 . . . . 0.0 112.33 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.785 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.06 101.93 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -111.61 70.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p -109.16 -163.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -94.01 119.74 6.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.15 -133.7 6.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.66 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -76.89 -25.46 53.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.69 0.281 . . . . 0.0 111.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 64.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.439 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.7 -175.27 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.485 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -118.99 104.83 10.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -117.58 142.3 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.8 -148.61 9.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 p -80.2 95.64 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.4 29.16 3.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -142.98 170.91 7.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -84.87 165.16 11.74 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.305 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.33 165.51 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.059 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.84 169.08 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.659 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.425 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -68.85 175.5 1.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 26.2 Cg_exo -61.73 -23.13 75.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.807 2.338 . . . . 0.0 112.664 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -35.59 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.593 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 52.5 m-85 -99.55 157.28 16.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.32 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.96 158.9 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.7 t -80.01 118.83 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 143.17 98.26 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.022 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.79 -35.09 16.79 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -79.94 -67.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -90.64 140.56 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.53 58.89 4.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.626 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' TRP . 1.1 mt -136.25 163.41 30.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.912 0.387 . . . . 0.0 111.039 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.33 119.05 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -136.6 -179.47 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -59.7 154.7 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.05 -167.84 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.1 mmt -127.58 148.57 67.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.554 2.17 . . . . 0.0 112.293 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.27 -112.0 3.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -158.64 70.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -84.22 -171.9 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.45 122.89 5.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.16 -133.63 8.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -71.64 -26.72 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 111.377 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.422 ' CE2' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -158.37 77.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 111.19 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -112.76 122.05 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -53.98 114.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -118.53 142.8 47.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.5 -144.42 10.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.438 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.02 94.25 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.345 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.88 33.82 1.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.429 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 153.67 23.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.98 166.26 28.45 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.588 2.192 . . . . 0.0 112.331 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 163.91 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -79.3 146.86 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.773 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -57.36 168.37 0.99 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 19' ' ' CYS . 27.4 Cg_endo -62.47 -15.61 46.61 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.45 2.1 . . . . 0.0 112.471 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.44 -26.32 18.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 13.2 m-85 -114.57 168.12 10.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.854 0.359 . . . . 0.0 111.027 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.0 157.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 t -85.13 117.58 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.26 142.04 96.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.62 -38.43 4.4 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.528 2.152 . . . . 0.0 112.336 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -80.03 -43.51 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -112.22 135.32 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 63.26 4.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 8' ' ' TRP . 1.1 mt -140.74 149.15 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -92.76 124.95 37.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -152.16 169.45 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -60.03 156.22 38.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.34 -27.94 10.9 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.563 2.176 . . . . 0.0 112.394 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.49 162.12 6.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--O 1.249 1.059 0 C-N-CA 122.57 2.18 . . . . 0.0 112.313 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.46 28.36 0.38 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.79 60.14 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -104.91 -174.56 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.874 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.92 117.38 4.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.11 -141.9 7.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.542 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -68.76 -24.92 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.688 0.28 . . . . 0.0 111.306 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.413 ' CD2' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -157.99 76.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 0.0 111.104 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.4 ' CE3' ' O ' ' A' ' 4' ' ' CYS . 2.0 m95 -114.37 124.73 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -48.11 131.02 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.388 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -146.17 142.41 28.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.65 -140.33 7.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.1 m -79.91 86.55 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 29.27 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.169 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -143.97 168.15 13.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.755 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -85.14 160.37 11.48 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.06 2.507 . . . . 0.0 112.182 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.18 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.14 -172.99 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 1.3 m -100.46 171.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 52.2 Cg_exo -54.99 -21.82 28.28 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.635 2.223 . . . . 0.0 112.438 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -87.88 -46.82 9.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.268 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 9.4 m-85 -93.79 175.82 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 111.039 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.0 m -156.95 155.23 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 t -80.48 118.21 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -57.7 143.67 75.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.7 -37.03 3.25 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.566 2.177 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -85.25 -45.19 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -101.61 164.5 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.15 59.55 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mt -141.3 153.81 45.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.7 m -95.75 123.8 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.719 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.59 173.84 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.418 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 81.0 m-85 -62.91 153.36 80.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.93 -28.86 15.86 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.59 2.193 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -143.89 155.99 59.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.57 2.18 . . . . 0.0 112.242 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.786 0.327 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.15 -110.59 2.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -158.1 73.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.1 p -86.22 -169.89 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.86 118.34 5.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.427 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -90.42 -135.2 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 111.22 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.33 78.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -115.91 119.09 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -53.13 116.46 2.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.44 142.51 49.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.9 -144.54 9.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.94 97.03 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.13 31.75 1.82 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.69 169.87 8.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -85.33 167.83 10.38 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.087 2.525 . . . . 0.0 112.258 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 159.52 26.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.57 147.36 35.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' CB ' ' HD3' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -56.93 168.11 0.92 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.695 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' A' ' 19' ' ' CYS . 28.5 Cg_endo -62.93 -15.45 47.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.436 2.091 . . . . 0.0 112.441 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -90.74 -25.96 19.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 14.1 m-85 -118.53 175.78 5.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.999 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 m -156.35 160.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.98 113.92 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -60.89 142.09 92.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.0 -37.15 6.52 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.491 2.127 . . . . 0.0 112.283 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.0 -50.96 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.15 136.99 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 64.63 3.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.04 151.61 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.6 m -92.29 121.61 33.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -148.52 173.47 13.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -59.59 158.56 21.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.01 -43.04 1.78 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.566 2.178 . . . . 0.0 112.332 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -112.67 149.02 40.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo . . . . . 0 C--O 1.249 1.059 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.807 0.336 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.56 128.66 2.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -140.05 70.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t -111.65 169.82 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.768 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -85.94 103.87 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.587 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.74 -135.5 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.579 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -68.04 -29.54 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.279 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.404 ' CD2' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.76 0.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.082 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.39 123.88 48.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -50.96 122.24 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.37 143.59 50.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.55 -149.55 18.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -80.08 83.66 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.93 -22.64 1.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.454 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -105.56 157.42 34.57 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.23 176.78 5.92 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.6 2.2 . . . . 0.0 112.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.14 158.98 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.37 152.56 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.48 163.69 4.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.27 -15.13 42.64 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.472 2.115 . . . . 0.0 112.627 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -90.71 -26.17 19.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.351 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 2.4 m-85 -115.49 164.46 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.183 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 m -137.54 156.86 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.43 123.85 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.71 141.78 94.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.15 -46.99 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.561 2.174 . . . . 0.0 112.347 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -80.03 -43.39 21.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -103.8 132.06 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 62.48 4.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' CD2' ' A' ' 8' ' ' TRP . 1.2 mt -141.3 146.98 37.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.7 m -89.94 127.74 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -154.3 168.45 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 53.9 m-85 -62.01 160.3 30.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.28 -66.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.648 2.232 . . . . 0.0 112.045 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.2 tpp -179.7 70.91 0.17 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--O 1.249 1.057 0 C-N-CA 122.533 2.155 . . . . 0.0 112.318 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.794 0.331 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.0 108.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.433 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' HG2' ' CH2' ' A' ' 9' ' ' TRP . 2.6 mp0 -125.95 97.54 5.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -109.03 161.08 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.755 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -70.47 110.68 3.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.559 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.88 -134.88 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 17.2 t80 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.03 83.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.038 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.415 ' CH2' ' HG2' ' A' ' 3' ' ' GLU . 2.7 m95 -120.8 116.32 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -48.1 129.03 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.286 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -135.45 142.45 45.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.11 -145.26 8.78 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 99.91 7.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.66 28.92 3.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 170.87 7.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.89 174.31 7.52 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 112.176 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.16 154.86 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.736 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -58.11 162.14 6.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.9 -18.43 34.87 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.526 2.15 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -85.4 -30.53 23.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 12.2 m-85 -115.66 176.08 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.112 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.3 m -157.33 160.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -80.0 109.73 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 143.34 80.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.87 -37.32 3.79 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.656 2.238 . . . . 0.0 112.277 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -79.96 -34.48 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -124.56 134.6 52.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.96 62.58 4.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.47 151.74 42.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.13 123.3 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -153.27 179.87 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 68.7 m-85 -59.58 154.37 45.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.25 -27.5 28.81 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.322 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 56.7 tpp -158.95 87.29 2.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.556 2.171 . . . . 0.0 112.32 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.848 0.356 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.93 123.67 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -137.28 75.35 1.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 t -114.49 169.41 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -88.3 100.87 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.73 -132.59 3.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.548 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -73.93 -28.51 61.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.98 78.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.048 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.71 121.31 42.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.45 121.34 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -132.41 144.74 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.4 -149.92 12.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -80.02 85.43 5.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.01 -23.62 2.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -100.09 161.46 24.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.305 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.46 175.62 7.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.267 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.46 157.84 20.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -78.34 153.13 31.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.31 163.66 4.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.52 -16.2 46.21 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.503 2.136 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.191 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 10.0 m-85 -120.13 173.59 7.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.378 . . . . 0.0 111.062 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 m -149.4 160.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 t -79.83 118.55 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -59.61 143.4 86.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.67 -44.82 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.03 -50.1 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -99.29 133.71 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.93 60.13 4.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -140.1 154.69 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.01 125.84 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -151.54 -176.13 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -65.74 152.38 93.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.34 -22.37 18.83 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.8 tpp 63.61 78.9 0.27 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.249 1.033 0 C-N-CA 122.569 2.179 . . . . 0.0 112.318 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.98 77.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -115.4 -170.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.7 t -103.79 160.95 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' HA3' ' CG ' ' A' ' 9' ' ' TRP . . . -71.01 124.13 11.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.317 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -136.39 9.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.771 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -67.81 -27.65 66.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 111.258 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.408 ' CZ2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.51 80.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.406 ' CG ' ' HA3' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -107.28 119.86 40.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -52.19 106.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.65 142.55 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 -157.01 18.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.545 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -79.96 82.6 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.72 -20.51 2.72 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.421 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.57 159.72 33.04 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.48 173.84 6.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.56 173.54 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.47 176.83 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.766 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 22' ' ' TYR . 5.5 m -81.64 168.02 27.23 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.628 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.4 -23.0 22.72 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.331 2.021 . . . . 0.0 112.085 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.83 -50.77 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 22.6 m-85 -79.88 153.28 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.7 m -141.49 156.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 111.273 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.1 t -85.74 124.09 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.767 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -57.17 143.78 71.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.7 -30.56 7.59 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.579 2.186 . . . . 0.0 112.229 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -96.23 -33.36 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -110.39 168.93 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.54 59.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD13 ' CZ2' ' A' ' 8' ' ' TRP . 1.1 mt -141.04 138.92 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.999 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.3 m -84.49 117.79 23.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.27 164.94 28.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.802 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 35.2 m-85 -58.27 159.11 12.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.6 -33.41 13.47 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.54 2.16 . . . . 0.0 112.279 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.1 148.5 0.54 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.506 2.137 . . . . 0.0 112.269 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 120.583 0.23 . . . . 0.0 111.532 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.45 ' N ' ' HG3' ' A' ' 1' ' ' GLU . . . -126.58 133.47 8.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -99.52 31.05 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.817 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.32 168.32 14.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -81.56 115.79 4.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -99.11 -134.52 8.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.586 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.49 -28.61 65.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 111.25 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.408 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.18 79.66 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.204 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -116.41 119.79 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -50.86 122.05 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -131.77 142.28 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.74 -138.05 6.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -80.0 88.87 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 30.43 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.396 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -150.2 166.79 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -84.93 164.1 11.75 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.049 2.499 . . . . 0.0 112.277 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 162.83 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.3 150.14 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HB2' ' HD3' ' A' ' 20' ' ' PRO . 4.4 m -60.37 169.4 1.75 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.438 ' HD3' ' HB2' ' A' ' 19' ' ' CYS . 37.5 Cg_exo -56.93 -23.45 51.52 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.706 2.271 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -84.11 -40.58 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.281 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 10.3 m-85 -100.18 173.65 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.39 . . . . 0.0 111.155 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 m -157.22 159.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.0 t -79.97 118.76 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -57.78 142.23 78.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.38 -33.72 10.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.595 2.197 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -88.67 -42.73 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -109.53 145.87 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.6 60.4 3.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.2 mp -142.38 153.4 43.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -91.68 122.29 34.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.772 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.95 -177.19 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -60.06 157.07 33.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.84 115.66 2.27 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.598 2.199 . . . . 0.0 112.297 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.1 ptm -153.5 88.1 3.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.525 2.15 . . . . 0.0 112.249 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.439 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -83.12 111.97 3.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.244 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.53 -136.53 6.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.79 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.07 -22.92 60.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.261 . . . . 0.0 111.351 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.557 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.2 79.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.411 ' CB ' ' HA2' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -112.64 119.75 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -51.87 119.75 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.69 161.62 31.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.93 -141.96 9.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -80.02 91.65 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.26 32.7 1.76 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.206 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -137.99 168.49 16.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -84.93 174.31 7.48 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.01 2.473 . . . . 0.0 112.221 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.25 153.06 22.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -79.32 160.18 26.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' HD1' ' A' ' 22' ' ' TYR . 21.4 m -60.63 163.53 8.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.13 -21.26 27.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.555 2.17 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -96.64 -33.12 11.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.297 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.444 ' HD1' ' HB2' ' A' ' 19' ' ' CYS . 59.0 m-85 -97.22 156.31 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -144.82 156.72 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 t -82.01 115.74 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.6 t -60.37 142.12 90.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.62 -37.24 7.36 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.542 2.161 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pttp -79.95 -44.67 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' HB3' HD12 ' A' ' 30' ' ' LEU . 53.8 m95 -112.86 135.86 53.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 65.71 3.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.557 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.4 mt -143.05 145.71 33.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.1 m -87.16 117.12 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 1.1 p-10 -148.77 176.61 10.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.438 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 83.8 m-85 -59.45 157.01 27.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 C--N 1.345 0.362 0 C-N-CA 122.473 2.116 . . . . 0.0 112.256 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -72.32 107.16 2.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.31 -142.63 6.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.552 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -69.58 -23.62 63.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.672 0.272 . . . . 0.0 111.214 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.632 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.0 78.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.98 116.07 29.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -51.96 110.02 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.219 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -117.08 142.38 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.95 -146.99 8.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.99 113.19 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.826 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.52 40.94 3.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.271 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.09 175.92 2.89 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -85.42 -170.74 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.046 2.498 . . . . 0.0 112.213 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.94 167.84 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.3 150.62 24.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.4 m -59.57 171.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 33.4 Cg_exo -58.84 -25.58 77.17 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.769 2.313 . . . . 0.0 112.458 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -38.93 24.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.431 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.555 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.6 m-85 -103.5 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 111.24 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 22' ' ' TYR . 5.4 m -159.79 157.21 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -79.93 117.53 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.55 141.8 91.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.35 -38.06 16.12 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.245 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -79.97 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.515 ' HB3' HD12 ' A' ' 30' ' ' LEU . 97.7 m95 -96.73 146.03 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.56 65.68 3.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.6 mt -141.86 143.55 33.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.2 m -84.71 124.39 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -150.76 -177.44 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -66.98 159.01 78.84 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 C--N 1.344 0.29 0 C-N-CA 122.587 2.192 . . . . 0.0 112.338 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.817 0.342 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.07 -179.89 48.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.21 -130.22 1.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.19 -31.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.844 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.13 73.86 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -113.49 122.86 48.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.484 ' NZ ' HD21 ' A' ' 30' ' ' LEU . 2.1 mptt -52.64 130.66 32.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 p -139.13 142.36 38.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.6 -153.67 19.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -80.0 93.22 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.0 28.95 3.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.241 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -142.0 164.66 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.685 0.279 . . . . 0.0 110.739 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 142.75 85.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.474 2.116 . . . . 0.0 112.246 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.67 166.84 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.46 149.68 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.463 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 4.4 m -72.09 169.23 17.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 50.0 Cg_exo -55.26 -25.05 45.01 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.708 2.272 . . . . 0.0 112.49 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -25.07 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.331 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.438 ' O ' HG13 ' A' ' 23' ' ' VAL . 5.9 m-85 -118.4 178.37 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.066 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 22' ' ' TYR . 7.9 m -156.36 157.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 t -81.9 120.02 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.8 142.72 71.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.21 -40.69 0.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -80.03 -39.63 29.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -106.27 -178.48 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.05 50.04 0.85 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 8' ' ' TRP . 2.5 mt -135.12 157.2 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.8 m -97.58 131.13 44.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.768 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -150.02 176.96 10.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -61.1 157.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 C--N 1.344 0.292 0 C-N-CA 122.528 2.152 . . . . 0.0 112.261 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.794 0.33 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.08 112.73 3.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.54 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.41 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.2 -141.94 7.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.576 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.99 -24.97 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.681 0.277 . . . . 0.0 111.204 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.63 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -157.31 79.19 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.059 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.1 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.67 124.45 9.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -129.74 142.48 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.95 -147.52 11.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -80.09 97.01 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.72 30.78 2.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.335 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.43 170.39 8.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.322 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -84.91 161.4 11.91 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.018 2.478 . . . . 0.0 112.217 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 161.99 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -81.52 149.18 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.1 m -59.68 173.76 0.5 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 33.2 Cg_exo -60.48 -22.81 73.25 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.739 2.293 . . . . 0.0 112.62 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -88.53 -32.84 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 21.2 m-85 -106.87 168.75 8.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 111.311 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.16 158.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -79.9 110.23 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 t -60.85 142.09 92.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.54 -31.41 17.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.573 2.182 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -80.02 -51.29 9.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -110.25 139.08 45.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.97 62.21 4.23 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.63 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.1 mt -142.36 155.28 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.2 m -91.75 122.08 33.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -149.44 -175.08 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -59.91 153.74 52.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo . . . . . 0 C--N 1.344 0.297 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -97.77 134.9 11.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -103.84 -135.26 8.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 33' ' ' PHE . 16.3 t80 -71.56 -26.7 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.665 0.269 . . . . 0.0 111.351 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.727 ' CE2' HD22 ' A' ' 30' ' ' LEU . 1.9 t90 -159.96 67.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.23 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.724 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -89.57 -173.52 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.246 179.411 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -114.43 107.1 15.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 p -114.17 142.18 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.9 -150.9 20.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -80.12 94.51 6.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.33 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.31 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -144.25 170.57 8.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 161.19 11.8 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.037 2.492 . . . . 0.0 112.182 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.96 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 m -75.09 150.2 38.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -59.64 175.21 0.38 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 23.6 Cg_exo -62.94 -18.89 67.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.847 2.365 . . . . 0.0 112.704 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -95.04 -27.21 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.662 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 12.5 m-85 -112.46 160.94 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 0.0 111.292 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -143.6 161.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -79.81 116.68 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -58.11 144.15 76.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.93 -37.51 19.45 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.265 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -79.94 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.5 m95 -86.55 156.45 20.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.05 54.5 1.85 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.651 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 8' ' ' TRP . 1.1 mp -130.48 165.87 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.941 0.401 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -104.33 120.04 40.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -142.76 -175.73 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 7' ' ' PHE . 31.0 m-85 -60.77 155.28 52.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 C--N 1.344 0.334 0 C-N-CA 122.629 2.219 . . . . 0.0 112.273 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -82.91 134.57 13.0 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -106.93 -136.91 8.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.64 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 18.2 t80 -67.21 -26.96 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.665 0.269 . . . . 0.0 111.334 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.776 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.71 79.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 111.13 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -119.03 122.46 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.82 128.5 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -130.8 142.41 50.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.28 -148.98 18.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.3 m -79.92 96.29 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.39 29.9 2.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.251 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 171.47 6.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -84.81 155.85 11.7 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.998 2.465 . . . . 0.0 112.237 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.87 163.5 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.214 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.46 140.98 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -59.93 172.83 0.63 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 34.7 Cg_exo -58.96 -23.94 70.66 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.761 2.307 . . . . 0.0 112.531 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.9 -26.75 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 8.5 m-85 -114.43 173.66 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 111.148 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 22' ' ' TYR . 18.1 m -156.84 156.9 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.6 t -81.55 116.2 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.81 143.65 76.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.44 -35.55 2.78 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.618 2.212 . . . . 0.0 112.382 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -79.99 -42.05 24.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -107.46 -175.87 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.23 51.15 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.204 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.8 mt -134.74 154.3 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 0.0 111.162 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -93.43 127.18 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.672 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -149.52 -178.01 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 65.5 m-85 -69.63 147.67 96.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo . . . . . 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.282 179.889 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -82.6 130.79 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -102.84 -138.84 10.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.604 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 15.5 t80 -66.77 -25.97 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.61 0.243 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.737 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.12 78.24 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 111.126 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -118.7 120.13 36.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -50.3 126.3 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -131.87 142.39 49.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.77 -153.45 14.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -80.03 94.12 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.9 30.8 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -143.54 162.5 41.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.659 0.266 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.0 147.6 84.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.512 2.141 . . . . 0.0 112.198 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.98 22.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.22 140.45 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -59.14 172.69 0.53 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 32.4 Cg_exo -58.72 -26.35 79.39 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.774 2.316 . . . . 0.0 112.444 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -25.53 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.48 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.1 m-85 -117.13 176.27 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 22' ' ' TYR . 4.6 m -159.98 158.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.977 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.87 115.36 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.5 t -57.41 145.32 68.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.76 -36.65 2.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.613 2.209 . . . . 0.0 112.249 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -80.98 -45.62 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -104.15 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.78 51.01 0.73 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.737 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.4 mt -134.23 155.88 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.086 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m -92.97 126.8 38.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -150.34 -177.12 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 15.3 m-85 -61.22 146.54 88.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo . . . . . 0 C--N 1.344 0.336 0 C-N-CA 122.412 2.075 . . . . 0.0 112.33 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.767 0.317 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -75.72 111.14 3.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -85.82 -144.58 7.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.37 -24.49 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.27 . . . . 0.0 111.214 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.19 78.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.014 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -115.69 119.47 36.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HD3' HD21 ' A' ' 30' ' ' LEU . 21.6 mmtt -51.19 120.56 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.257 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.65 142.42 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.44 -151.93 17.62 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -80.08 84.56 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.94 -23.57 2.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.299 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -96.11 168.87 9.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.736 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -84.51 169.21 11.03 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.957 2.438 . . . . 0.0 112.239 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.93 160.33 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -80.62 150.53 29.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -61.15 173.11 0.75 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 35.2 Cg_exo -59.22 -19.36 49.49 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.775 2.316 . . . . 0.0 112.625 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -93.77 -36.95 12.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.47 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 29.5 m-85 -100.09 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.0 m -146.47 155.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 t -80.08 110.84 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -59.35 141.31 87.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.39 -37.71 7.32 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.52 2.146 . . . . 0.0 112.362 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -42.36 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -112.47 134.54 53.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.01 60.18 4.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.746 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.5 mt -142.34 153.66 44.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -91.86 127.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -154.75 175.69 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -62.67 155.91 67.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo . . . . . 0 C--N 1.345 0.363 0 C-N-CA 122.575 2.183 . . . . 0.0 112.254 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -100.97 164.8 18.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -135.83 -128.03 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.425 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 13.8 t80 -69.43 -31.55 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.069 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 78.03 0.66 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.426 ' CG ' ' HA2' ' A' ' 5' ' ' GLY . 6.7 m95 -111.32 124.86 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -57.95 119.58 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.73 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.08 -149.58 16.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -80.71 89.13 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.77 29.79 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 23.7 mmtm -144.76 162.57 37.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.675 0.274 . . . . 0.0 110.784 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 49.6 Cg_endo -69.04 149.81 71.91 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.459 2.106 . . . . 0.0 112.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 164.22 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.056 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -82.56 143.69 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -59.51 168.93 1.53 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 24.6 Cg_endo -62.12 -15.99 47.57 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.363 2.042 . . . . 0.0 112.483 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.41 -24.79 20.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 3.5 m-85 -117.3 169.46 9.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -143.44 159.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.5 t -79.96 124.08 28.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.74 139.04 69.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.15 -45.93 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -80.16 -47.85 14.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -93.09 -175.55 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.17 47.96 0.99 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.3 mt -132.24 155.26 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 111.055 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.7 m -97.97 123.07 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -137.36 179.03 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 72.0 m-85 -60.54 157.2 38.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo . . . . . 0 C--N 1.344 0.299 0 C-N-CA 122.577 2.184 . . . . 0.0 112.272 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -81.85 112.72 3.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.487 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.82 -144.53 6.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -69.51 -19.41 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.587 0.232 . . . . 0.0 111.181 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.551 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.0 76.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 111.018 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.19 118.53 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HD3' HD21 ' A' ' 30' ' ' LEU . 22.3 mmtt -49.89 123.61 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.266 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.94 142.44 51.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 -151.8 15.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 m -80.04 84.01 5.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.81 -23.48 2.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.197 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.76 168.38 11.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.722 0.296 . . . . 0.0 110.756 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -84.5 171.28 9.96 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.932 2.421 . . . . 0.0 112.249 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 155.65 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -76.45 153.08 35.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.693 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -60.05 174.75 0.44 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.938 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 30.2 Cg_exo -60.86 -21.84 71.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.772 2.315 . . . . 0.0 112.658 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.33 -33.37 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.559 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 34.0 m-85 -103.0 162.94 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 111.295 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -152.34 160.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.88 110.36 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 t -61.71 143.0 94.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.69 -34.04 12.1 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.94 -47.72 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -111.49 136.26 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.95 61.99 4.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.551 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.2 mt -142.78 157.37 44.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.5 m -92.17 120.88 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -154.4 -174.29 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -60.14 155.5 44.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo . . . . . 0 C--N 1.345 0.36 0 C-N-CA 122.598 2.199 . . . . 0.0 112.214 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.788 0.328 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -79.73 121.59 5.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.406 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.98 -144.8 15.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.627 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.6 -25.2 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.298 . . . . 0.0 111.317 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.642 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.76 118.55 36.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -53.42 111.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -116.86 142.42 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.93 -145.61 6.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -84.22 92.08 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.87 33.12 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.424 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -144.93 155.59 55.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.53 161.63 45.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.255 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 165.14 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -79.37 161.54 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.708 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -68.83 174.69 2.49 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 34.0 Cg_exo -59.04 -20.78 55.51 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.814 2.343 . . . . 0.0 112.604 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -95.19 -38.56 10.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.48 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 50.3 m-85 -95.95 159.61 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 111.242 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 m -147.96 155.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.8 t -79.92 113.95 18.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -60.06 140.77 90.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.83 -37.79 14.98 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.554 2.17 . . . . 0.0 112.395 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -80.03 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.6 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.6 m95 -109.05 139.87 43.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.01 64.78 4.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mp -142.27 141.83 32.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 0.0 111.018 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.7 m -83.54 123.96 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.757 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -150.53 -177.98 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -69.36 155.4 93.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.344 0.317 0 C-N-CA 122.635 2.223 . . . . 0.0 112.231 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.682 0.277 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -94.01 119.74 6.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.15 -133.7 6.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.66 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -76.89 -25.46 53.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.69 0.281 . . . . 0.0 111.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -157.67 64.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.784 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.7 -175.27 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.485 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -118.99 104.83 10.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -117.58 142.3 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.8 -148.61 9.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 p -80.2 95.64 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.4 29.16 3.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -142.98 170.91 7.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -84.87 165.16 11.74 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.305 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.33 165.51 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.059 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.84 169.08 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.659 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.425 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -68.85 175.5 1.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 26.2 Cg_exo -61.73 -23.13 75.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.807 2.338 . . . . 0.0 112.664 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -35.59 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.593 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 52.5 m-85 -99.55 157.28 16.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.32 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.96 158.9 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.7 t -80.01 118.83 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 143.17 98.26 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.022 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.79 -35.09 16.79 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -79.94 -67.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.578 ' HB3' HD12 ' A' ' 30' ' ' LEU . 70.9 m95 -90.64 140.56 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.53 58.89 4.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.626 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 9' ' ' TRP . 1.1 mt -136.25 163.41 30.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.912 0.387 . . . . 0.0 111.039 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.33 119.05 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -136.6 -179.47 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -59.7 154.7 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--N 1.344 0.327 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.831 0.348 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.45 122.89 5.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.16 -133.63 8.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -71.64 -26.72 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 111.377 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.828 ' CE2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -158.37 77.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 111.19 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -112.76 122.05 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -53.98 114.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -118.53 142.8 47.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.5 -144.42 10.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.438 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.02 94.25 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.345 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.88 33.82 1.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.429 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 153.67 23.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.98 166.26 28.45 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.588 2.192 . . . . 0.0 112.331 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 163.91 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -79.3 146.86 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.773 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -57.36 168.37 0.99 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 27.4 Cg_endo -62.47 -15.61 46.61 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.45 2.1 . . . . 0.0 112.471 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.44 -26.32 18.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 13.2 m-85 -114.57 168.12 10.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.854 0.359 . . . . 0.0 111.027 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.0 157.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 t -85.13 117.58 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.26 142.04 96.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.62 -38.43 4.4 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.528 2.152 . . . . 0.0 112.336 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -80.03 -43.51 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.595 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.9 m95 -112.22 135.32 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 63.26 4.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.828 HD22 ' CE2' ' A' ' 8' ' ' TRP . 1.1 mt -140.74 149.15 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -92.76 124.95 37.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -152.16 169.45 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -60.03 156.22 38.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 C--N 1.344 0.339 0 C-N-CA 122.563 2.176 . . . . 0.0 112.394 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.4 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.92 117.38 4.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.11 -141.9 7.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.542 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -68.76 -24.92 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.688 0.28 . . . . 0.0 111.306 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.709 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -157.99 76.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 0.0 111.104 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.4 ' CE3' ' O ' ' A' ' 4' ' ' CYS . 2.0 m95 -114.37 124.73 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -48.11 131.02 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.388 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -146.17 142.41 28.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.65 -140.33 7.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.1 m -79.91 86.55 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 29.27 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.169 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -143.97 168.15 13.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.755 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -85.14 160.37 11.48 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.06 2.507 . . . . 0.0 112.182 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.18 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.14 -172.99 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.3 m -100.46 171.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 52.2 Cg_exo -54.99 -21.82 28.28 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.635 2.223 . . . . 0.0 112.438 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -87.88 -46.82 9.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.268 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 9.4 m-85 -93.79 175.82 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 111.039 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 22' ' ' TYR . 29.0 m -156.95 155.23 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 t -80.48 118.21 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -57.7 143.67 75.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.7 -37.03 3.25 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.566 2.177 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -85.25 -45.19 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -101.61 164.5 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.15 59.55 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.709 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mt -141.3 153.81 45.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.7 m -95.75 123.8 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.719 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.59 173.84 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.418 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 81.0 m-85 -62.91 153.36 80.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--N 1.345 0.354 0 C-N-CA 122.59 2.193 . . . . 0.0 112.331 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.774 0.321 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.86 118.34 5.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.427 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -90.42 -135.2 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 111.22 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.663 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -156.33 78.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -115.91 119.09 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -53.13 116.46 2.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.44 142.51 49.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.9 -144.54 9.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.94 97.03 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.13 31.75 1.82 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.69 169.87 8.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -85.33 167.83 10.38 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.087 2.525 . . . . 0.0 112.258 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 159.52 26.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.57 147.36 35.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -56.93 168.11 0.92 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.695 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 28.5 Cg_endo -62.93 -15.45 47.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.436 2.091 . . . . 0.0 112.441 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -90.74 -25.96 19.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 14.1 m-85 -118.53 175.78 5.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.999 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 22' ' ' TYR . 23.5 m -156.35 160.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.98 113.92 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -60.89 142.09 92.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.0 -37.15 6.52 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.491 2.127 . . . . 0.0 112.283 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.0 -50.96 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.54 ' HB3' HD12 ' A' ' 30' ' ' LEU . 74.2 m95 -107.15 136.99 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 64.63 3.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.663 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mt -142.04 151.61 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.6 m -92.29 121.61 33.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -148.52 173.47 13.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -59.59 158.56 21.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--N 1.344 0.325 0 C-N-CA 122.566 2.178 . . . . 0.0 112.332 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -85.94 103.87 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.587 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.74 -135.5 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.579 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -68.04 -29.54 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.279 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.638 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.76 0.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.082 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.39 123.88 48.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -50.96 122.24 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.37 143.59 50.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.55 -149.55 18.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -80.08 83.66 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.93 -22.64 1.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.454 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 17.3 mmtm -105.56 157.42 34.57 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 51.3 Cg_endo -69.23 176.78 5.92 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.6 2.2 . . . . 0.0 112.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.14 158.98 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.37 152.56 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.48 163.69 4.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.27 -15.13 42.64 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.472 2.115 . . . . 0.0 112.627 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -90.71 -26.17 19.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.351 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 2.4 m-85 -115.49 164.46 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.183 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 m -137.54 156.86 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.43 123.85 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.71 141.78 94.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.15 -46.99 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.561 2.174 . . . . 0.0 112.347 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -80.03 -43.39 21.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.412 ' HB3' HD12 ' A' ' 30' ' ' LEU . 37.4 m95 -103.8 132.06 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 62.48 4.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.638 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.2 mt -141.3 146.98 37.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.7 m -89.94 127.74 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -154.3 168.45 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 53.9 m-85 -62.01 160.3 30.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 C--N 1.343 0.281 0 C-N-CA 122.648 2.232 . . . . 0.0 112.045 179.817 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.88 0.371 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -70.47 110.68 3.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.559 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.88 -134.88 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 17.2 t80 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.03 83.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.038 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -120.8 116.32 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HD3' HD21 ' A' ' 30' ' ' LEU . 14.7 mmtm -48.1 129.03 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.286 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -135.45 142.45 45.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.11 -145.26 8.78 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 99.91 7.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.66 28.92 3.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 170.87 7.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.89 174.31 7.52 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 112.176 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.16 154.86 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.736 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -58.11 162.14 6.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.9 -18.43 34.87 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.526 2.15 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -85.4 -30.53 23.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.415 ' O ' HG13 ' A' ' 23' ' ' VAL . 12.2 m-85 -115.66 176.08 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.112 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 22' ' ' TYR . 27.3 m -157.33 160.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -80.0 109.73 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 143.34 80.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.87 -37.32 3.79 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.656 2.238 . . . . 0.0 112.277 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -79.96 -34.48 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -124.56 134.6 52.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.96 62.58 4.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD21 ' HD3' ' A' ' 10' ' ' LYS . 1.1 mt -142.47 151.74 42.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.13 123.3 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -153.27 179.87 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 68.7 m-85 -59.58 154.37 45.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.322 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -88.3 100.87 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.73 -132.59 3.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.548 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -73.93 -28.51 61.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -157.98 78.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.048 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.71 121.31 42.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.45 121.34 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -132.41 144.74 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.4 -149.92 12.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -80.02 85.43 5.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.01 -23.62 2.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -100.09 161.46 24.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.305 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.46 175.62 7.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.267 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.46 157.84 20.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -78.34 153.13 31.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.31 163.66 4.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.52 -16.2 46.21 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.503 2.136 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.191 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 10.0 m-85 -120.13 173.59 7.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.378 . . . . 0.0 111.062 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 m -149.4 160.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 t -79.83 118.55 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -59.61 143.4 86.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.67 -44.82 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.03 -50.1 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -99.29 133.71 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.93 60.13 4.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.2 mt -140.1 154.69 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.01 125.84 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -151.54 -176.13 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -65.74 152.38 93.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--N 1.345 0.351 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.7 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.802 0.334 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.413 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -71.01 124.13 11.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.317 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -136.39 9.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.771 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -67.81 -27.65 66.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 111.258 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.45 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.51 80.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.413 ' CG ' ' HA2' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -107.28 119.86 40.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.574 ' HZ2' HD21 ' A' ' 30' ' ' LEU . 1.6 mptp? -52.19 106.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.65 142.55 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 -157.01 18.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.545 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -79.96 82.6 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.72 -20.51 2.72 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.421 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.57 159.72 33.04 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.48 173.84 6.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.56 173.54 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.47 176.83 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.766 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 22' ' ' TYR . 5.5 m -81.64 168.02 27.23 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.628 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 50.6 Cg_exo -53.4 -23.0 22.72 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.331 2.021 . . . . 0.0 112.085 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.83 -50.77 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.439 ' HD2' ' HB2' ' A' ' 19' ' ' CYS . 22.6 m-85 -79.88 153.28 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.7 m -141.49 156.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 111.273 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.1 t -85.74 124.09 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.767 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -57.17 143.78 71.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.7 -30.56 7.59 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.579 2.186 . . . . 0.0 112.229 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -96.23 -33.36 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -110.39 168.93 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.54 59.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.574 HD21 ' HZ2' ' A' ' 10' ' ' LYS . 1.1 mt -141.04 138.92 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.999 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.3 m -84.49 117.79 23.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.27 164.94 28.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.802 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 35.2 m-85 -58.27 159.11 12.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.344 0.299 0 C-N-CA 122.54 2.16 . . . . 0.0 112.279 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -81.56 115.79 4.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -99.11 -134.52 8.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.586 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.49 -28.61 65.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 111.25 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.18 79.66 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.204 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -116.41 119.79 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -50.86 122.05 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -131.77 142.28 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.74 -138.05 6.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -80.0 88.87 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 30.43 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.396 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -150.2 166.79 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -84.93 164.1 11.75 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.049 2.499 . . . . 0.0 112.277 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 162.83 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.3 150.14 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 4.4 m -60.37 169.4 1.75 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 37.5 Cg_exo -56.93 -23.45 51.52 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.706 2.271 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -84.11 -40.58 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.281 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.421 ' O ' HG13 ' A' ' 23' ' ' VAL . 10.3 m-85 -100.18 173.65 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.39 . . . . 0.0 111.155 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 22' ' ' TYR . 20.4 m -157.22 159.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.0 t -79.97 118.76 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -57.78 142.23 78.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.38 -33.72 10.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.595 2.197 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -88.67 -42.73 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -109.53 145.87 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.6 60.4 3.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.746 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.2 mp -142.38 153.4 43.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -91.68 122.29 34.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.772 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.95 -177.19 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -60.06 157.07 33.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo . . . . . 0 C--N 1.345 0.358 0 C-N-CA 122.598 2.199 . . . . 0.0 112.297 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.21 109.88 2.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.31 31.21 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.736 0.303 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 t -63.25 160.81 14.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.439 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -83.12 111.97 3.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.244 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.53 -136.53 6.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.79 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.07 -22.92 60.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.261 . . . . 0.0 111.351 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.557 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.2 79.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.411 ' CB ' ' HA2' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -112.64 119.75 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -51.87 119.75 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.69 161.62 31.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.93 -141.96 9.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -80.02 91.65 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.26 32.7 1.76 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.206 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -137.99 168.49 16.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -84.93 174.31 7.48 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.01 2.473 . . . . 0.0 112.221 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.25 153.06 22.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -79.32 160.18 26.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' HD1' ' A' ' 22' ' ' TYR . 21.4 m -60.63 163.53 8.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.13 -21.26 27.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.555 2.17 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -96.64 -33.12 11.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.297 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' HD1' ' HB2' ' A' ' 19' ' ' CYS . 59.0 m-85 -97.22 156.31 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -144.82 156.72 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 t -82.01 115.74 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.6 t -60.37 142.12 90.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.62 -37.24 7.36 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.542 2.161 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pttp -79.95 -44.67 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' HB3' HD12 ' A' ' 30' ' ' LEU . 53.8 m95 -112.86 135.86 53.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 65.71 3.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.557 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.4 mt -143.05 145.71 33.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.1 m -87.16 117.12 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 1.1 p-10 -148.77 176.61 10.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.438 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 83.8 m-85 -59.45 157.01 27.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.46 -30.6 29.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.473 2.116 . . . . 0.0 112.256 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.2 ptm -178.7 145.1 0.47 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.444 2.096 . . . . 0.0 112.271 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.82 39.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.572 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -61.74 -47.96 82.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.64 -169.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.771 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -72.32 107.16 2.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.31 -142.63 6.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.552 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -69.58 -23.62 63.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.672 0.272 . . . . 0.0 111.214 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.632 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.0 78.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.98 116.07 29.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -51.96 110.02 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.219 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -117.08 142.38 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.95 -146.99 8.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.99 113.19 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.826 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.52 40.94 3.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.271 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.09 175.92 2.89 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -85.42 -170.74 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.046 2.498 . . . . 0.0 112.213 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.94 167.84 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.3 150.62 24.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.4 m -59.57 171.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 33.4 Cg_exo -58.84 -25.58 77.17 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.769 2.313 . . . . 0.0 112.458 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -38.93 24.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.431 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.555 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.6 m-85 -103.5 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 111.24 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 22' ' ' TYR . 5.4 m -159.79 157.21 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -79.93 117.53 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.55 141.8 91.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.35 -38.06 16.12 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.245 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -79.97 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.515 ' HB3' HD12 ' A' ' 30' ' ' LEU . 97.7 m95 -96.73 146.03 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.56 65.68 3.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.6 mt -141.86 143.55 33.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.2 m -84.71 124.39 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -150.76 -177.44 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -66.98 159.01 78.84 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.43 106.74 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.587 2.192 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.1 tpt 60.19 88.91 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.599 2.199 . . . . 0.0 112.241 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.766 0.317 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.64 -151.83 5.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -113.5 30.78 6.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.45 169.49 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.07 -179.89 48.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.21 -130.22 1.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.19 -31.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.844 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.13 73.86 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -113.49 122.86 48.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' NZ ' HD21 ' A' ' 30' ' ' LEU . 2.1 mptt -52.64 130.66 32.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 p -139.13 142.36 38.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.6 -153.67 19.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -80.0 93.22 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.0 28.95 3.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.241 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -142.0 164.66 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.685 0.279 . . . . 0.0 110.739 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 142.75 85.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.474 2.116 . . . . 0.0 112.246 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.67 166.84 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.46 149.68 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.463 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 4.4 m -72.09 169.23 17.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 50.0 Cg_exo -55.26 -25.05 45.01 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.708 2.272 . . . . 0.0 112.49 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -25.07 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.331 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.438 ' O ' HG13 ' A' ' 23' ' ' VAL . 5.9 m-85 -118.4 178.37 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.066 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 22' ' ' TYR . 7.9 m -156.36 157.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 t -81.9 120.02 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.8 142.72 71.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.21 -40.69 0.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -80.03 -39.63 29.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -106.27 -178.48 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.05 50.04 0.85 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 8' ' ' TRP . 2.5 mt -135.12 157.2 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.8 m -97.58 131.13 44.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.768 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -150.02 176.96 10.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -61.1 157.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.34 133.4 24.41 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.528 2.152 . . . . 0.0 112.261 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.4 ttt 61.08 80.81 0.25 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.249 1.051 0 C-N-CA 122.595 2.197 . . . . 0.0 112.294 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.49 -141.03 7.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.28 168.13 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.1 p -61.14 -173.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.08 112.73 3.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.54 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.41 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.2 -141.94 7.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.576 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.99 -24.97 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.681 0.277 . . . . 0.0 111.204 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.63 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -157.31 79.19 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.059 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.1 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.67 124.45 9.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -129.74 142.48 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.95 -147.52 11.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -80.09 97.01 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.72 30.78 2.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.335 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.43 170.39 8.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.322 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -84.91 161.4 11.91 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.018 2.478 . . . . 0.0 112.217 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 161.99 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -81.52 149.18 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.1 m -59.68 173.76 0.5 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 33.2 Cg_exo -60.48 -22.81 73.25 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.739 2.293 . . . . 0.0 112.62 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -88.53 -32.84 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 21.2 m-85 -106.87 168.75 8.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 111.311 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.16 158.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -79.9 110.23 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 t -60.85 142.09 92.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.54 -31.41 17.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.573 2.182 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -80.02 -51.29 9.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -110.25 139.08 45.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.97 62.21 4.23 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.63 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.1 mt -142.36 155.28 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.2 m -91.75 122.08 33.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -149.44 -175.08 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -59.91 153.74 52.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.8 156.75 43.9 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -131.94 142.52 45.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.45 2.1 . . . . 0.0 112.282 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.834 0.349 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.02 -26.32 25.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.584 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -136.0 47.63 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.99 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 p -110.94 -164.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -97.77 134.9 11.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -103.84 -135.26 8.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 33' ' ' PHE . 16.3 t80 -71.56 -26.7 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.665 0.269 . . . . 0.0 111.351 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.727 ' CE2' HD22 ' A' ' 30' ' ' LEU . 1.9 t90 -159.96 67.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.23 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.724 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -89.57 -173.52 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.246 179.411 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -114.43 107.1 15.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 p -114.17 142.18 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.9 -150.9 20.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -80.12 94.51 6.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.33 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.31 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -144.25 170.57 8.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 161.19 11.8 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.037 2.492 . . . . 0.0 112.182 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.96 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 m -75.09 150.2 38.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -59.64 175.21 0.38 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 23.6 Cg_exo -62.94 -18.89 67.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.847 2.365 . . . . 0.0 112.704 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -95.04 -27.21 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.662 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 12.5 m-85 -112.46 160.94 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 0.0 111.292 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -143.6 161.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -79.81 116.68 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -58.11 144.15 76.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.93 -37.51 19.45 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.265 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -79.94 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.5 m95 -86.55 156.45 20.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.05 54.5 1.85 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.651 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 8' ' ' TRP . 1.1 mp -130.48 165.87 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.941 0.401 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -104.33 120.04 40.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -142.76 -175.73 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 7' ' ' PHE . 31.0 m-85 -60.77 155.28 52.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.88 93.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.629 2.219 . . . . 0.0 112.273 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.1 tpp 56.82 89.32 0.11 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.535 2.156 . . . . 0.0 112.296 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.66 118.07 1.13 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -152.89 133.21 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p -62.23 -171.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -82.91 134.57 13.0 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -106.93 -136.91 8.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.64 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 18.2 t80 -67.21 -26.96 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.665 0.269 . . . . 0.0 111.334 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.776 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.71 79.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 111.13 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -119.03 122.46 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.82 128.5 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -130.8 142.41 50.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.28 -148.98 18.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.3 m -79.92 96.29 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.39 29.9 2.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.251 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 171.47 6.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -84.81 155.85 11.7 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.998 2.465 . . . . 0.0 112.237 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.87 163.5 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.214 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.46 140.98 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -59.93 172.83 0.63 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 34.7 Cg_exo -58.96 -23.94 70.66 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.761 2.307 . . . . 0.0 112.531 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.9 -26.75 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 8.5 m-85 -114.43 173.66 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 111.148 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 22' ' ' TYR . 18.1 m -156.84 156.9 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.6 t -81.55 116.2 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.81 143.65 76.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.44 -35.55 2.78 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.618 2.212 . . . . 0.0 112.382 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -79.99 -42.05 24.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -107.46 -175.87 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.23 51.15 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.204 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.8 mt -134.74 154.3 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 0.0 111.162 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -93.43 127.18 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.672 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -149.52 -178.01 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 65.5 m-85 -69.63 147.67 96.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.61 165.87 30.65 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.282 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.0 mtt -92.95 144.61 28.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.531 2.154 . . . . 0.0 112.338 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.873 0.368 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.85 86.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -112.39 126.1 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 p -109.47 -171.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -82.6 130.79 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -102.84 -138.84 10.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.604 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 15.5 t80 -66.77 -25.97 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.61 0.243 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.737 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.12 78.24 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 111.126 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -118.7 120.13 36.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -50.3 126.3 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -131.87 142.39 49.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.77 -153.45 14.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -80.03 94.12 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.9 30.8 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -143.54 162.5 41.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.659 0.266 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.0 147.6 84.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.512 2.141 . . . . 0.0 112.198 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.98 22.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.22 140.45 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -59.14 172.69 0.53 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 32.4 Cg_exo -58.72 -26.35 79.39 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.774 2.316 . . . . 0.0 112.444 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -25.53 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.48 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.1 m-85 -117.13 176.27 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 22' ' ' TYR . 4.6 m -159.98 158.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.977 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.87 115.36 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.5 t -57.41 145.32 68.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.76 -36.65 2.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.613 2.209 . . . . 0.0 112.249 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -80.98 -45.62 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -104.15 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.78 51.01 0.73 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.737 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.4 mt -134.23 155.88 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.086 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m -92.97 126.8 38.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -150.34 -177.12 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 15.3 m-85 -61.22 146.54 88.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -65.39 -72.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.412 2.075 . . . . 0.0 112.33 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.3 mtt -157.8 145.07 13.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.557 2.171 . . . . 0.0 112.336 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.852 0.358 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.04 -28.17 17.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -86.55 -32.26 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.8 p -77.14 -172.08 2.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -75.72 111.14 3.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -85.82 -144.58 7.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.37 -24.49 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.27 . . . . 0.0 111.214 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.19 78.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.014 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -115.69 119.47 36.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HD3' HD21 ' A' ' 30' ' ' LEU . 21.6 mmtt -51.19 120.56 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.257 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.65 142.42 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.44 -151.93 17.62 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -80.08 84.56 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.94 -23.57 2.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.299 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -96.11 168.87 9.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.736 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -84.51 169.21 11.03 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.957 2.438 . . . . 0.0 112.239 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.93 160.33 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -80.62 150.53 29.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -61.15 173.11 0.75 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 35.2 Cg_exo -59.22 -19.36 49.49 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.775 2.316 . . . . 0.0 112.625 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -93.77 -36.95 12.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.47 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 29.5 m-85 -100.09 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.0 m -146.47 155.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 t -80.08 110.84 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -59.35 141.31 87.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.39 -37.71 7.32 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.52 2.146 . . . . 0.0 112.362 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -42.36 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -112.47 134.54 53.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.01 60.18 4.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.746 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.5 mt -142.34 153.66 44.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -91.86 127.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -154.75 175.69 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -62.67 155.91 67.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.38 -39.51 7.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.575 2.183 . . . . 0.0 112.254 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.9 tpp -177.35 135.07 0.38 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.758 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--O 1.249 1.074 0 C-N-CA 122.498 2.132 . . . . 0.0 112.362 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.815 0.34 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.09 113.98 5.66 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -135.6 92.82 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.958 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.6 p -142.34 -165.03 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -100.97 164.8 18.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -135.83 -128.03 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 13.8 t80 -69.43 -31.55 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.069 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 78.03 0.66 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.426 ' CG ' ' HA2' ' A' ' 5' ' ' GLY . 6.7 m95 -111.32 124.86 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -57.95 119.58 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.73 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.08 -149.58 16.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -80.71 89.13 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.77 29.79 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 23.7 mmtm -144.76 162.57 37.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.675 0.274 . . . . 0.0 110.784 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 49.6 Cg_endo -69.04 149.81 71.91 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.459 2.106 . . . . 0.0 112.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 164.22 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.056 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -82.56 143.69 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -59.51 168.93 1.53 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 24.6 Cg_endo -62.12 -15.99 47.57 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.363 2.042 . . . . 0.0 112.483 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.41 -24.79 20.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 3.5 m-85 -117.3 169.46 9.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -143.44 159.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.5 t -79.96 124.08 28.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.74 139.04 69.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.15 -45.93 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -80.16 -47.85 14.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -93.09 -175.55 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.17 47.96 0.99 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.3 mt -132.24 155.26 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 111.055 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.7 m -97.97 123.07 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -137.36 179.03 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 72.0 m-85 -60.54 157.2 38.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.02 94.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.577 2.184 . . . . 0.0 112.272 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.0 tpp -146.89 69.01 11.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.249 1.048 0 C-N-CA 122.571 2.18 . . . . 0.0 112.282 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.817 0.341 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.97 -28.91 13.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.1 -32.29 18.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.0 p -76.07 -171.66 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -81.85 112.72 3.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.487 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.82 -144.53 6.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -69.51 -19.41 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.587 0.232 . . . . 0.0 111.181 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.551 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.0 76.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 111.018 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.19 118.53 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HD3' HD21 ' A' ' 30' ' ' LEU . 22.3 mmtt -49.89 123.61 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.266 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.94 142.44 51.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 -151.8 15.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 m -80.04 84.01 5.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.81 -23.48 2.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.197 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.76 168.38 11.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.722 0.296 . . . . 0.0 110.756 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -84.5 171.28 9.96 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.932 2.421 . . . . 0.0 112.249 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 155.65 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -76.45 153.08 35.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.693 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -60.05 174.75 0.44 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.938 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 30.2 Cg_exo -60.86 -21.84 71.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.772 2.315 . . . . 0.0 112.658 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.33 -33.37 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.559 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 34.0 m-85 -103.0 162.94 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 111.295 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -152.34 160.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.88 110.36 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 t -61.71 143.0 94.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.69 -34.04 12.1 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.94 -47.72 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -111.49 136.26 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.95 61.99 4.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.551 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.2 mt -142.78 157.37 44.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.5 m -92.17 120.88 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -154.4 -174.29 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -60.14 155.5 44.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.06 -28.09 29.04 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.598 2.199 . . . . 0.0 112.214 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.5 tpt -127.74 87.88 54.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.571 2.18 . . . . 0.0 112.329 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.833 0.349 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.62 54.26 0.74 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -121.15 139.94 52.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.818 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p -61.53 -171.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -79.73 121.59 5.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.406 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.98 -144.8 15.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.627 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.6 -25.2 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.298 . . . . 0.0 111.317 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.642 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.76 118.55 36.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -53.42 111.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -116.86 142.42 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.93 -145.61 6.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -84.22 92.08 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.87 33.12 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.424 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -144.93 155.59 55.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.53 161.63 45.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.255 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 165.14 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -79.37 161.54 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.708 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -68.83 174.69 2.49 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 34.0 Cg_exo -59.04 -20.78 55.51 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.814 2.343 . . . . 0.0 112.604 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -95.19 -38.56 10.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.48 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 50.3 m-85 -95.95 159.61 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 111.242 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 m -147.96 155.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.8 t -79.92 113.95 18.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -60.06 140.77 90.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.83 -37.79 14.98 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.554 2.17 . . . . 0.0 112.395 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -80.03 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.6 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.6 m95 -109.05 139.87 43.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.01 64.78 4.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mp -142.27 141.83 32.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 0.0 111.018 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.7 m -83.54 123.96 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.757 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -150.53 -177.98 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -69.36 155.4 93.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.0 146.45 57.89 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.635 2.223 . . . . 0.0 112.231 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mtm 59.01 89.54 0.1 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.563 2.176 . . . . 0.0 112.33 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.785 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.06 101.93 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -111.61 70.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p -109.16 -163.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -94.01 119.74 6.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.15 -133.7 6.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.66 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -76.89 -25.46 53.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.69 0.281 . . . . 0.0 111.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -157.67 64.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.784 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.7 -175.27 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.485 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -118.99 104.83 10.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -117.58 142.3 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.8 -148.61 9.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 p -80.2 95.64 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.4 29.16 3.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -142.98 170.91 7.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -84.87 165.16 11.74 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.305 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.33 165.51 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.059 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.84 169.08 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.659 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.425 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -68.85 175.5 1.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 26.2 Cg_exo -61.73 -23.13 75.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.807 2.338 . . . . 0.0 112.664 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -35.59 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.593 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 52.5 m-85 -99.55 157.28 16.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.32 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.96 158.9 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.7 t -80.01 118.83 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 143.17 98.26 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.022 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.79 -35.09 16.79 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -79.94 -67.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.578 ' HB3' HD12 ' A' ' 30' ' ' LEU . 70.9 m95 -90.64 140.56 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.53 58.89 4.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.626 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 9' ' ' TRP . 1.1 mt -136.25 163.41 30.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.912 0.387 . . . . 0.0 111.039 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.33 119.05 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -136.6 -179.47 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -59.7 154.7 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.05 -167.84 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.1 mmt -127.58 148.57 67.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.554 2.17 . . . . 0.0 112.293 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.27 -112.0 3.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -158.64 70.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -84.22 -171.9 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.45 122.89 5.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.16 -133.63 8.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -71.64 -26.72 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 111.377 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.828 ' CE2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -158.37 77.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 111.19 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -112.76 122.05 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -53.98 114.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -118.53 142.8 47.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.5 -144.42 10.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.438 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.02 94.25 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.345 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.88 33.82 1.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.429 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 153.67 23.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.98 166.26 28.45 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.588 2.192 . . . . 0.0 112.331 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 163.91 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -79.3 146.86 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.773 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -57.36 168.37 0.99 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 27.4 Cg_endo -62.47 -15.61 46.61 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.45 2.1 . . . . 0.0 112.471 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.44 -26.32 18.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 13.2 m-85 -114.57 168.12 10.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.854 0.359 . . . . 0.0 111.027 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.0 157.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 t -85.13 117.58 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.26 142.04 96.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.62 -38.43 4.4 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.528 2.152 . . . . 0.0 112.336 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -80.03 -43.51 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.595 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.9 m95 -112.22 135.32 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 63.26 4.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.828 HD22 ' CE2' ' A' ' 8' ' ' TRP . 1.1 mt -140.74 149.15 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -92.76 124.95 37.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -152.16 169.45 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -60.03 156.22 38.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.34 -27.94 10.9 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.563 2.176 . . . . 0.0 112.394 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.49 162.12 6.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--O 1.249 1.059 0 C-N-CA 122.57 2.18 . . . . 0.0 112.313 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.46 28.36 0.38 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.79 60.14 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -104.91 -174.56 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.874 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.92 117.38 4.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.11 -141.9 7.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.542 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -68.76 -24.92 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.688 0.28 . . . . 0.0 111.306 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.709 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -157.99 76.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 0.0 111.104 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.4 ' CE3' ' O ' ' A' ' 4' ' ' CYS . 2.0 m95 -114.37 124.73 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -48.11 131.02 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.388 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -146.17 142.41 28.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.65 -140.33 7.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.1 m -79.91 86.55 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 29.27 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.169 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -143.97 168.15 13.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.755 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -85.14 160.37 11.48 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.06 2.507 . . . . 0.0 112.182 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.18 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.14 -172.99 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.3 m -100.46 171.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 52.2 Cg_exo -54.99 -21.82 28.28 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.635 2.223 . . . . 0.0 112.438 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -87.88 -46.82 9.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.268 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 9.4 m-85 -93.79 175.82 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 111.039 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 22' ' ' TYR . 29.0 m -156.95 155.23 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 t -80.48 118.21 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -57.7 143.67 75.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.7 -37.03 3.25 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.566 2.177 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -85.25 -45.19 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -101.61 164.5 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.15 59.55 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.709 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mt -141.3 153.81 45.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.7 m -95.75 123.8 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.719 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.59 173.84 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.418 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 81.0 m-85 -62.91 153.36 80.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.93 -28.86 15.86 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.59 2.193 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -143.89 155.99 59.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.57 2.18 . . . . 0.0 112.242 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.786 0.327 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.15 -110.59 2.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -158.1 73.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.1 p -86.22 -169.89 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.86 118.34 5.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.427 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -90.42 -135.2 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 111.22 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.663 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -156.33 78.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -115.91 119.09 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -53.13 116.46 2.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.44 142.51 49.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.9 -144.54 9.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.94 97.03 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.13 31.75 1.82 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.69 169.87 8.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -85.33 167.83 10.38 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.087 2.525 . . . . 0.0 112.258 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 159.52 26.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.57 147.36 35.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -56.93 168.11 0.92 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.695 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 28.5 Cg_endo -62.93 -15.45 47.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.436 2.091 . . . . 0.0 112.441 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -90.74 -25.96 19.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 14.1 m-85 -118.53 175.78 5.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.999 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 22' ' ' TYR . 23.5 m -156.35 160.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.98 113.92 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -60.89 142.09 92.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.0 -37.15 6.52 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.491 2.127 . . . . 0.0 112.283 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.0 -50.96 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.54 ' HB3' HD12 ' A' ' 30' ' ' LEU . 74.2 m95 -107.15 136.99 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 64.63 3.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.663 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mt -142.04 151.61 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.6 m -92.29 121.61 33.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -148.52 173.47 13.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -59.59 158.56 21.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.01 -43.04 1.78 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.566 2.178 . . . . 0.0 112.332 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -112.67 149.02 40.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo . . . . . 0 C--O 1.249 1.059 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.807 0.336 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.56 128.66 2.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -140.05 70.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t -111.65 169.82 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.768 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -85.94 103.87 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.587 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.74 -135.5 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.579 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -68.04 -29.54 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.279 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.638 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.76 0.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.082 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.39 123.88 48.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -50.96 122.24 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.37 143.59 50.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.55 -149.55 18.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -80.08 83.66 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.93 -22.64 1.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.454 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 17.3 mmtm -105.56 157.42 34.57 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 51.3 Cg_endo -69.23 176.78 5.92 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.6 2.2 . . . . 0.0 112.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.14 158.98 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.37 152.56 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.48 163.69 4.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.27 -15.13 42.64 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.472 2.115 . . . . 0.0 112.627 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -90.71 -26.17 19.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.351 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 2.4 m-85 -115.49 164.46 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.183 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 m -137.54 156.86 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.43 123.85 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.71 141.78 94.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.15 -46.99 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.561 2.174 . . . . 0.0 112.347 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -80.03 -43.39 21.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' HB3' HD12 ' A' ' 30' ' ' LEU . 37.4 m95 -103.8 132.06 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 62.48 4.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.638 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.2 mt -141.3 146.98 37.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.7 m -89.94 127.74 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -154.3 168.45 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 53.9 m-85 -62.01 160.3 30.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.28 -66.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.648 2.232 . . . . 0.0 112.045 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.2 tpp -179.7 70.91 0.17 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--O 1.249 1.057 0 C-N-CA 122.533 2.155 . . . . 0.0 112.318 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.794 0.331 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.0 108.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.433 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.436 ' HG3' ' CH2' ' A' ' 9' ' ' TRP . 2.6 mp0 -125.95 97.54 5.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -109.03 161.08 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.755 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -70.47 110.68 3.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.559 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.88 -134.88 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 17.2 t80 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.03 83.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.038 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 3' ' ' GLU . 2.7 m95 -120.8 116.32 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HD3' HD21 ' A' ' 30' ' ' LEU . 14.7 mmtm -48.1 129.03 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.286 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -135.45 142.45 45.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.11 -145.26 8.78 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 99.91 7.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.66 28.92 3.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 170.87 7.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.89 174.31 7.52 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 112.176 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.16 154.86 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.736 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -58.11 162.14 6.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.9 -18.43 34.87 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.526 2.15 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -85.4 -30.53 23.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' O ' HG13 ' A' ' 23' ' ' VAL . 12.2 m-85 -115.66 176.08 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.112 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 22' ' ' TYR . 27.3 m -157.33 160.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -80.0 109.73 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 143.34 80.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.87 -37.32 3.79 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.656 2.238 . . . . 0.0 112.277 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -79.96 -34.48 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -124.56 134.6 52.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.96 62.58 4.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD21 ' HD3' ' A' ' 10' ' ' LYS . 1.1 mt -142.47 151.74 42.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.13 123.3 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -153.27 179.87 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 68.7 m-85 -59.58 154.37 45.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.25 -27.5 28.81 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.322 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 56.7 tpp -158.95 87.29 2.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.556 2.171 . . . . 0.0 112.32 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.848 0.356 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.93 123.67 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -137.28 75.35 1.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 t -114.49 169.41 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -88.3 100.87 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.73 -132.59 3.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.548 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -73.93 -28.51 61.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -157.98 78.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.048 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.71 121.31 42.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.45 121.34 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -132.41 144.74 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.4 -149.92 12.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -80.02 85.43 5.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.01 -23.62 2.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -100.09 161.46 24.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.305 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.46 175.62 7.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.267 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.46 157.84 20.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -78.34 153.13 31.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.31 163.66 4.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.52 -16.2 46.21 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.503 2.136 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.191 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 10.0 m-85 -120.13 173.59 7.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.378 . . . . 0.0 111.062 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 m -149.4 160.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 t -79.83 118.55 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -59.61 143.4 86.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.67 -44.82 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.03 -50.1 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -99.29 133.71 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.93 60.13 4.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.2 mt -140.1 154.69 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.01 125.84 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -151.54 -176.13 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -65.74 152.38 93.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.34 -22.37 18.83 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.8 tpp 63.61 78.9 0.27 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.249 1.033 0 C-N-CA 122.569 2.179 . . . . 0.0 112.318 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.98 77.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -115.4 -170.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.7 t -103.79 160.95 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.413 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -71.01 124.13 11.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.317 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -136.39 9.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.771 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -67.81 -27.65 66.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 111.258 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.45 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.51 80.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.413 ' CG ' ' HA2' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -107.28 119.86 40.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.574 ' HZ2' HD21 ' A' ' 30' ' ' LEU . 1.6 mptp? -52.19 106.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.65 142.55 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 -157.01 18.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.545 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -79.96 82.6 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.72 -20.51 2.72 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.421 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.57 159.72 33.04 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.48 173.84 6.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.56 173.54 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.47 176.83 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.766 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 22' ' ' TYR . 5.5 m -81.64 168.02 27.23 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.628 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 50.6 Cg_exo -53.4 -23.0 22.72 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.331 2.021 . . . . 0.0 112.085 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.83 -50.77 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.439 ' HD2' ' HB2' ' A' ' 19' ' ' CYS . 22.6 m-85 -79.88 153.28 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.7 m -141.49 156.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 111.273 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.1 t -85.74 124.09 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.767 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -57.17 143.78 71.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.7 -30.56 7.59 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.579 2.186 . . . . 0.0 112.229 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -96.23 -33.36 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -110.39 168.93 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.54 59.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.574 HD21 ' HZ2' ' A' ' 10' ' ' LYS . 1.1 mt -141.04 138.92 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.999 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.3 m -84.49 117.79 23.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.27 164.94 28.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.802 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 35.2 m-85 -58.27 159.11 12.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.6 -33.41 13.47 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.54 2.16 . . . . 0.0 112.279 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.1 148.5 0.54 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.506 2.137 . . . . 0.0 112.269 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 120.583 0.23 . . . . 0.0 111.532 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 1' ' ' GLU . . . -126.58 133.47 8.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -99.52 31.05 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.817 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.32 168.32 14.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -81.56 115.79 4.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -99.11 -134.52 8.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.586 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.49 -28.61 65.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 111.25 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.18 79.66 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.204 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -116.41 119.79 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -50.86 122.05 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -131.77 142.28 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.74 -138.05 6.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -80.0 88.87 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 30.43 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.396 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -150.2 166.79 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -84.93 164.1 11.75 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.049 2.499 . . . . 0.0 112.277 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 162.83 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.3 150.14 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 4.4 m -60.37 169.4 1.75 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 37.5 Cg_exo -56.93 -23.45 51.52 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.706 2.271 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -84.11 -40.58 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.281 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.421 ' O ' HG13 ' A' ' 23' ' ' VAL . 10.3 m-85 -100.18 173.65 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.39 . . . . 0.0 111.155 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 22' ' ' TYR . 20.4 m -157.22 159.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.0 t -79.97 118.76 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -57.78 142.23 78.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.38 -33.72 10.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.595 2.197 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -88.67 -42.73 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -109.53 145.87 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.6 60.4 3.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.746 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.2 mp -142.38 153.4 43.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -91.68 122.29 34.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.772 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.95 -177.19 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -60.06 157.07 33.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.84 115.66 2.27 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.598 2.199 . . . . 0.0 112.297 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.1 ptm -153.5 88.1 3.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.525 2.15 . . . . 0.0 112.249 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.439 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -83.12 111.97 3.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.244 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.53 -136.53 6.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.79 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.07 -22.92 60.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.261 . . . . 0.0 111.351 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.557 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.2 79.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.411 ' CB ' ' HA2' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -112.64 119.75 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -51.87 119.75 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.69 161.62 31.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.93 -141.96 9.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -80.02 91.65 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.26 32.7 1.76 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.206 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -137.99 168.49 16.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -84.93 174.31 7.48 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.01 2.473 . . . . 0.0 112.221 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.25 153.06 22.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -79.32 160.18 26.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' HD1' ' A' ' 22' ' ' TYR . 21.4 m -60.63 163.53 8.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.13 -21.26 27.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.555 2.17 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -96.64 -33.12 11.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.297 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.444 ' HD1' ' HB2' ' A' ' 19' ' ' CYS . 59.0 m-85 -97.22 156.31 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -144.82 156.72 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 t -82.01 115.74 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.6 t -60.37 142.12 90.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.62 -37.24 7.36 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.542 2.161 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pttp -79.95 -44.67 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' HB3' HD12 ' A' ' 30' ' ' LEU . 53.8 m95 -112.86 135.86 53.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 65.71 3.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.557 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.4 mt -143.05 145.71 33.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.1 m -87.16 117.12 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -148.77 176.61 10.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -59.45 157.01 27.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 C--N 1.345 0.362 0 C-N-CA 122.473 2.116 . . . . 0.0 112.256 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -72.32 107.16 2.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.31 -142.63 6.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.552 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -69.58 -23.62 63.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.672 0.272 . . . . 0.0 111.214 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.632 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.0 78.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.98 116.07 29.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -51.96 110.02 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.219 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -117.08 142.38 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.95 -146.99 8.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.99 113.19 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.826 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.52 40.94 3.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.271 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.09 175.92 2.89 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -85.42 -170.74 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.046 2.498 . . . . 0.0 112.213 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.94 167.84 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.3 150.62 24.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.4 m -59.57 171.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 33.4 Cg_exo -58.84 -25.58 77.17 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.769 2.313 . . . . 0.0 112.458 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -38.93 24.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.431 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.555 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.6 m-85 -103.5 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 111.24 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 22' ' ' TYR . 5.4 m -159.79 157.21 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -79.93 117.53 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.55 141.8 91.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.35 -38.06 16.12 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.245 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -79.97 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.515 ' HB3' HD12 ' A' ' 30' ' ' LEU . 97.7 m95 -96.73 146.03 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.56 65.68 3.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.6 mt -141.86 143.55 33.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.2 m -84.71 124.39 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -150.76 -177.44 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -66.98 159.01 78.84 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 C--N 1.344 0.29 0 C-N-CA 122.587 2.192 . . . . 0.0 112.338 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.817 0.342 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.07 -179.89 48.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.21 -130.22 1.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.19 -31.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.844 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.13 73.86 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -113.49 122.86 48.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.484 ' NZ ' HD21 ' A' ' 30' ' ' LEU . 2.1 mptt -52.64 130.66 32.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 p -139.13 142.36 38.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.6 -153.67 19.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -80.0 93.22 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.0 28.95 3.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.241 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -142.0 164.66 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.685 0.279 . . . . 0.0 110.739 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 142.75 85.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.474 2.116 . . . . 0.0 112.246 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.67 166.84 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.46 149.68 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.463 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 4.4 m -72.09 169.23 17.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 50.0 Cg_exo -55.26 -25.05 45.01 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.708 2.272 . . . . 0.0 112.49 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -25.07 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.331 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.438 ' O ' HG13 ' A' ' 23' ' ' VAL . 5.9 m-85 -118.4 178.37 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.066 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 22' ' ' TYR . 7.9 m -156.36 157.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 t -81.9 120.02 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.8 142.72 71.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.21 -40.69 0.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -80.03 -39.63 29.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -106.27 -178.48 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.05 50.04 0.85 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 8' ' ' TRP . 2.5 mt -135.12 157.2 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.8 m -97.58 131.13 44.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.768 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -150.02 176.96 10.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -61.1 157.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 C--N 1.344 0.292 0 C-N-CA 122.528 2.152 . . . . 0.0 112.261 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.794 0.33 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.08 112.73 3.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.54 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.41 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.2 -141.94 7.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.576 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.99 -24.97 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.681 0.277 . . . . 0.0 111.204 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.63 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -157.31 79.19 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.059 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.1 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.67 124.45 9.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -129.74 142.48 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.95 -147.52 11.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -80.09 97.01 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.72 30.78 2.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.335 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.43 170.39 8.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.322 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -84.91 161.4 11.91 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.018 2.478 . . . . 0.0 112.217 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 161.99 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -81.52 149.18 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.1 m -59.68 173.76 0.5 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 33.2 Cg_exo -60.48 -22.81 73.25 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.739 2.293 . . . . 0.0 112.62 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -88.53 -32.84 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 21.2 m-85 -106.87 168.75 8.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 111.311 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.16 158.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -79.9 110.23 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 t -60.85 142.09 92.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.54 -31.41 17.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.573 2.182 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -80.02 -51.29 9.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -110.25 139.08 45.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.97 62.21 4.23 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.63 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.1 mt -142.36 155.28 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.2 m -91.75 122.08 33.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -149.44 -175.08 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -59.91 153.74 52.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo . . . . . 0 C--N 1.344 0.297 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -97.77 134.9 11.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -103.84 -135.26 8.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 33' ' ' PHE . 16.3 t80 -71.56 -26.7 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.665 0.269 . . . . 0.0 111.351 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.727 ' CE2' HD22 ' A' ' 30' ' ' LEU . 1.9 t90 -159.96 67.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.23 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.724 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -89.57 -173.52 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.246 179.411 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -114.43 107.1 15.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 p -114.17 142.18 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.9 -150.9 20.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -80.12 94.51 6.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.33 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.31 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -144.25 170.57 8.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 161.19 11.8 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.037 2.492 . . . . 0.0 112.182 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.96 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 m -75.09 150.2 38.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -59.64 175.21 0.38 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 23.6 Cg_exo -62.94 -18.89 67.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.847 2.365 . . . . 0.0 112.704 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -95.04 -27.21 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.662 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 12.5 m-85 -112.46 160.94 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 0.0 111.292 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -143.6 161.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -79.81 116.68 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -58.11 144.15 76.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.93 -37.51 19.45 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.265 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -79.94 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.5 m95 -86.55 156.45 20.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.05 54.5 1.85 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.651 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 8' ' ' TRP . 1.1 mp -130.48 165.87 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.941 0.401 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -104.33 120.04 40.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -142.76 -175.73 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 7' ' ' PHE . 31.0 m-85 -60.77 155.28 52.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 C--N 1.344 0.334 0 C-N-CA 122.629 2.219 . . . . 0.0 112.273 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -82.91 134.57 13.0 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -106.93 -136.91 8.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.64 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 18.2 t80 -67.21 -26.96 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.665 0.269 . . . . 0.0 111.334 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.776 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.71 79.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 111.13 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -119.03 122.46 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.82 128.5 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -130.8 142.41 50.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.28 -148.98 18.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.3 m -79.92 96.29 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.39 29.9 2.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.251 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 171.47 6.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -84.81 155.85 11.7 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.998 2.465 . . . . 0.0 112.237 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.87 163.5 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.214 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.46 140.98 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -59.93 172.83 0.63 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 34.7 Cg_exo -58.96 -23.94 70.66 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.761 2.307 . . . . 0.0 112.531 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.9 -26.75 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 8.5 m-85 -114.43 173.66 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 111.148 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 22' ' ' TYR . 18.1 m -156.84 156.9 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.6 t -81.55 116.2 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.81 143.65 76.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.44 -35.55 2.78 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.618 2.212 . . . . 0.0 112.382 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -79.99 -42.05 24.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -107.46 -175.87 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.23 51.15 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.204 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.8 mt -134.74 154.3 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 0.0 111.162 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -93.43 127.18 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.672 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -149.52 -178.01 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 65.5 m-85 -69.63 147.67 96.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo . . . . . 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.282 179.889 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -82.6 130.79 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -102.84 -138.84 10.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.604 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 15.5 t80 -66.77 -25.97 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.61 0.243 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.737 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.12 78.24 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 111.126 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -118.7 120.13 36.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -50.3 126.3 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -131.87 142.39 49.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.77 -153.45 14.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -80.03 94.12 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.9 30.8 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -143.54 162.5 41.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.659 0.266 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.0 147.6 84.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.512 2.141 . . . . 0.0 112.198 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.98 22.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.22 140.45 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -59.14 172.69 0.53 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 32.4 Cg_exo -58.72 -26.35 79.39 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.774 2.316 . . . . 0.0 112.444 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -25.53 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.48 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.1 m-85 -117.13 176.27 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 22' ' ' TYR . 4.6 m -159.98 158.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.977 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.87 115.36 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.5 t -57.41 145.32 68.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.76 -36.65 2.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.613 2.209 . . . . 0.0 112.249 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -80.98 -45.62 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -104.15 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.78 51.01 0.73 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.737 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.4 mt -134.23 155.88 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.086 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m -92.97 126.8 38.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -150.34 -177.12 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 15.3 m-85 -61.22 146.54 88.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo . . . . . 0 C--N 1.344 0.336 0 C-N-CA 122.412 2.075 . . . . 0.0 112.33 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.767 0.317 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -75.72 111.14 3.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -85.82 -144.58 7.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.37 -24.49 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.27 . . . . 0.0 111.214 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.19 78.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.014 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -115.69 119.47 36.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HD3' HD21 ' A' ' 30' ' ' LEU . 21.6 mmtt -51.19 120.56 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.257 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.65 142.42 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.44 -151.93 17.62 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -80.08 84.56 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.94 -23.57 2.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.299 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -96.11 168.87 9.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.736 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -84.51 169.21 11.03 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.957 2.438 . . . . 0.0 112.239 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.93 160.33 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -80.62 150.53 29.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -61.15 173.11 0.75 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 35.2 Cg_exo -59.22 -19.36 49.49 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.775 2.316 . . . . 0.0 112.625 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -93.77 -36.95 12.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.47 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 29.5 m-85 -100.09 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.0 m -146.47 155.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 t -80.08 110.84 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -59.35 141.31 87.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.39 -37.71 7.32 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.52 2.146 . . . . 0.0 112.362 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -42.36 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -112.47 134.54 53.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.01 60.18 4.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.746 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.5 mt -142.34 153.66 44.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -91.86 127.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -154.75 175.69 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -62.67 155.91 67.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo . . . . . 0 C--N 1.345 0.363 0 C-N-CA 122.575 2.183 . . . . 0.0 112.254 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -100.97 164.8 18.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -135.83 -128.03 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.425 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 13.8 t80 -69.43 -31.55 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.069 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 78.03 0.66 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.426 ' CG ' ' HA2' ' A' ' 5' ' ' GLY . 6.7 m95 -111.32 124.86 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -57.95 119.58 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.73 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.08 -149.58 16.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -80.71 89.13 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.77 29.79 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 23.7 mmtm -144.76 162.57 37.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.675 0.274 . . . . 0.0 110.784 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 49.6 Cg_endo -69.04 149.81 71.91 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.459 2.106 . . . . 0.0 112.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 164.22 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.056 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -82.56 143.69 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -59.51 168.93 1.53 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 24.6 Cg_endo -62.12 -15.99 47.57 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.363 2.042 . . . . 0.0 112.483 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.41 -24.79 20.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 3.5 m-85 -117.3 169.46 9.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -143.44 159.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.5 t -79.96 124.08 28.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.74 139.04 69.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.15 -45.93 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -80.16 -47.85 14.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -93.09 -175.55 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.17 47.96 0.99 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.3 mt -132.24 155.26 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 111.055 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.7 m -97.97 123.07 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -137.36 179.03 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 72.0 m-85 -60.54 157.2 38.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo . . . . . 0 C--N 1.344 0.299 0 C-N-CA 122.577 2.184 . . . . 0.0 112.272 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -81.85 112.72 3.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.487 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.82 -144.53 6.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -69.51 -19.41 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.587 0.232 . . . . 0.0 111.181 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.551 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.0 76.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 111.018 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.19 118.53 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HD3' HD21 ' A' ' 30' ' ' LEU . 22.3 mmtt -49.89 123.61 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.266 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.94 142.44 51.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 -151.8 15.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 m -80.04 84.01 5.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.81 -23.48 2.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.197 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.76 168.38 11.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.722 0.296 . . . . 0.0 110.756 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -84.5 171.28 9.96 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.932 2.421 . . . . 0.0 112.249 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 155.65 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -76.45 153.08 35.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.693 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -60.05 174.75 0.44 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.938 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 30.2 Cg_exo -60.86 -21.84 71.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.772 2.315 . . . . 0.0 112.658 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.33 -33.37 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.559 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 34.0 m-85 -103.0 162.94 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 111.295 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -152.34 160.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.88 110.36 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 t -61.71 143.0 94.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.69 -34.04 12.1 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.94 -47.72 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -111.49 136.26 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.95 61.99 4.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.551 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.2 mt -142.78 157.37 44.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.5 m -92.17 120.88 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -154.4 -174.29 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -60.14 155.5 44.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo . . . . . 0 C--N 1.345 0.36 0 C-N-CA 122.598 2.199 . . . . 0.0 112.214 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.788 0.328 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -79.73 121.59 5.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.406 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.98 -144.8 15.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.627 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.6 -25.2 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.298 . . . . 0.0 111.317 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.642 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.76 118.55 36.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -53.42 111.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -116.86 142.42 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.93 -145.61 6.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -84.22 92.08 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.87 33.12 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.424 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -144.93 155.59 55.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.53 161.63 45.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.255 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 165.14 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -79.37 161.54 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.708 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -68.83 174.69 2.49 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 34.0 Cg_exo -59.04 -20.78 55.51 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.814 2.343 . . . . 0.0 112.604 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -95.19 -38.56 10.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.48 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 50.3 m-85 -95.95 159.61 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 111.242 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 m -147.96 155.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.8 t -79.92 113.95 18.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -60.06 140.77 90.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.83 -37.79 14.98 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.554 2.17 . . . . 0.0 112.395 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -80.03 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.6 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.6 m95 -109.05 139.87 43.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.01 64.78 4.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mp -142.27 141.83 32.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 0.0 111.018 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.7 m -83.54 123.96 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.757 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -150.53 -177.98 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -69.36 155.4 93.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.344 0.317 0 C-N-CA 122.635 2.223 . . . . 0.0 112.231 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.682 0.277 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -94.01 119.74 6.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.15 -133.7 6.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.66 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -76.89 -25.46 53.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.69 0.281 . . . . 0.0 111.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -157.67 64.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.784 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.7 -175.27 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.485 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -118.99 104.83 10.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -117.58 142.3 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.8 -148.61 9.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 p -80.2 95.64 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.4 29.16 3.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -142.98 170.91 7.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -84.87 165.16 11.74 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.305 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.33 165.51 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.059 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.84 169.08 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.659 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.425 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -68.85 175.5 1.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 26.2 Cg_exo -61.73 -23.13 75.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.807 2.338 . . . . 0.0 112.664 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -35.59 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.593 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 52.5 m-85 -99.55 157.28 16.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.32 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.96 158.9 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.7 t -80.01 118.83 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 143.17 98.26 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.022 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.79 -35.09 16.79 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -79.94 -67.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.578 ' HB3' HD12 ' A' ' 30' ' ' LEU . 70.9 m95 -90.64 140.56 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.53 58.89 4.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.626 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 9' ' ' TRP . 1.1 mt -136.25 163.41 30.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.912 0.387 . . . . 0.0 111.039 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.33 119.05 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -136.6 -179.47 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -59.7 154.7 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--N 1.344 0.327 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.831 0.348 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.45 122.89 5.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.16 -133.63 8.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -71.64 -26.72 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 111.377 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.828 ' CE2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -158.37 77.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 111.19 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -112.76 122.05 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -53.98 114.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -118.53 142.8 47.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.5 -144.42 10.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.438 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.02 94.25 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.345 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.88 33.82 1.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.429 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 153.67 23.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.98 166.26 28.45 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.588 2.192 . . . . 0.0 112.331 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 163.91 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -79.3 146.86 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.773 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -57.36 168.37 0.99 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 27.4 Cg_endo -62.47 -15.61 46.61 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.45 2.1 . . . . 0.0 112.471 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.44 -26.32 18.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 13.2 m-85 -114.57 168.12 10.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.854 0.359 . . . . 0.0 111.027 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.0 157.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 t -85.13 117.58 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.26 142.04 96.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.62 -38.43 4.4 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.528 2.152 . . . . 0.0 112.336 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -80.03 -43.51 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.595 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.9 m95 -112.22 135.32 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 63.26 4.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.828 HD22 ' CE2' ' A' ' 8' ' ' TRP . 1.1 mt -140.74 149.15 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -92.76 124.95 37.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -152.16 169.45 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -60.03 156.22 38.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 C--N 1.344 0.339 0 C-N-CA 122.563 2.176 . . . . 0.0 112.394 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.4 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.92 117.38 4.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.11 -141.9 7.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.542 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -68.76 -24.92 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.688 0.28 . . . . 0.0 111.306 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.709 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -157.99 76.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 0.0 111.104 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.4 ' CE3' ' O ' ' A' ' 4' ' ' CYS . 2.0 m95 -114.37 124.73 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -48.11 131.02 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.388 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -146.17 142.41 28.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.65 -140.33 7.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.1 m -79.91 86.55 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 29.27 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.169 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -143.97 168.15 13.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.755 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -85.14 160.37 11.48 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.06 2.507 . . . . 0.0 112.182 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.18 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.14 -172.99 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.3 m -100.46 171.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 52.2 Cg_exo -54.99 -21.82 28.28 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.635 2.223 . . . . 0.0 112.438 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -87.88 -46.82 9.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.268 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 9.4 m-85 -93.79 175.82 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 111.039 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 22' ' ' TYR . 29.0 m -156.95 155.23 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 t -80.48 118.21 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -57.7 143.67 75.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.7 -37.03 3.25 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.566 2.177 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -85.25 -45.19 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -101.61 164.5 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.15 59.55 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.709 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mt -141.3 153.81 45.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.7 m -95.75 123.8 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.719 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.59 173.84 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.418 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 81.0 m-85 -62.91 153.36 80.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--N 1.345 0.354 0 C-N-CA 122.59 2.193 . . . . 0.0 112.331 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.774 0.321 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.86 118.34 5.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.427 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -90.42 -135.2 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 111.22 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.663 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -156.33 78.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -115.91 119.09 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -53.13 116.46 2.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.44 142.51 49.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.9 -144.54 9.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.94 97.03 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.13 31.75 1.82 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.69 169.87 8.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -85.33 167.83 10.38 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.087 2.525 . . . . 0.0 112.258 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 159.52 26.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.57 147.36 35.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -56.93 168.11 0.92 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.695 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 28.5 Cg_endo -62.93 -15.45 47.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.436 2.091 . . . . 0.0 112.441 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -90.74 -25.96 19.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 14.1 m-85 -118.53 175.78 5.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.999 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 22' ' ' TYR . 23.5 m -156.35 160.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.98 113.92 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -60.89 142.09 92.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.0 -37.15 6.52 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.491 2.127 . . . . 0.0 112.283 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.0 -50.96 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.54 ' HB3' HD12 ' A' ' 30' ' ' LEU . 74.2 m95 -107.15 136.99 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 64.63 3.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.663 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mt -142.04 151.61 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.6 m -92.29 121.61 33.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -148.52 173.47 13.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -59.59 158.56 21.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--N 1.344 0.325 0 C-N-CA 122.566 2.178 . . . . 0.0 112.332 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -85.94 103.87 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.587 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.74 -135.5 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.579 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -68.04 -29.54 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.279 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.638 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.76 0.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.082 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.39 123.88 48.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -50.96 122.24 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.37 143.59 50.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.55 -149.55 18.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -80.08 83.66 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.93 -22.64 1.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.454 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 17.3 mmtm -105.56 157.42 34.57 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 51.3 Cg_endo -69.23 176.78 5.92 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.6 2.2 . . . . 0.0 112.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.14 158.98 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.37 152.56 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.48 163.69 4.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.27 -15.13 42.64 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.472 2.115 . . . . 0.0 112.627 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -90.71 -26.17 19.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.351 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 2.4 m-85 -115.49 164.46 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.183 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 m -137.54 156.86 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.43 123.85 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.71 141.78 94.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.15 -46.99 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.561 2.174 . . . . 0.0 112.347 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -80.03 -43.39 21.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.412 ' HB3' HD12 ' A' ' 30' ' ' LEU . 37.4 m95 -103.8 132.06 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 62.48 4.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.638 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.2 mt -141.3 146.98 37.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.7 m -89.94 127.74 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -154.3 168.45 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 53.9 m-85 -62.01 160.3 30.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 C--N 1.343 0.281 0 C-N-CA 122.648 2.232 . . . . 0.0 112.045 179.817 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.88 0.371 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -70.47 110.68 3.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.559 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.88 -134.88 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 17.2 t80 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.03 83.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.038 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -120.8 116.32 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HD3' HD21 ' A' ' 30' ' ' LEU . 14.7 mmtm -48.1 129.03 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.286 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -135.45 142.45 45.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.11 -145.26 8.78 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 99.91 7.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.66 28.92 3.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 170.87 7.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.89 174.31 7.52 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 112.176 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.16 154.86 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.736 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -58.11 162.14 6.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.9 -18.43 34.87 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.526 2.15 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -85.4 -30.53 23.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.415 ' O ' HG13 ' A' ' 23' ' ' VAL . 12.2 m-85 -115.66 176.08 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.112 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 22' ' ' TYR . 27.3 m -157.33 160.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -80.0 109.73 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 143.34 80.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.87 -37.32 3.79 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.656 2.238 . . . . 0.0 112.277 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -79.96 -34.48 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -124.56 134.6 52.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.96 62.58 4.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD21 ' HD3' ' A' ' 10' ' ' LYS . 1.1 mt -142.47 151.74 42.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.13 123.3 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -153.27 179.87 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 68.7 m-85 -59.58 154.37 45.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.322 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -88.3 100.87 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.73 -132.59 3.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.548 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -73.93 -28.51 61.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -157.98 78.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.048 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.71 121.31 42.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.45 121.34 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -132.41 144.74 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.4 -149.92 12.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -80.02 85.43 5.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.01 -23.62 2.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -100.09 161.46 24.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.305 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.46 175.62 7.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.267 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.46 157.84 20.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -78.34 153.13 31.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.31 163.66 4.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.52 -16.2 46.21 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.503 2.136 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.191 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 10.0 m-85 -120.13 173.59 7.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.378 . . . . 0.0 111.062 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 m -149.4 160.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 t -79.83 118.55 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -59.61 143.4 86.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.67 -44.82 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.03 -50.1 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -99.29 133.71 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.93 60.13 4.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.2 mt -140.1 154.69 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.01 125.84 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -151.54 -176.13 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -65.74 152.38 93.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--N 1.345 0.351 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.7 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.802 0.334 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.413 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -71.01 124.13 11.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.317 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -136.39 9.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.771 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -67.81 -27.65 66.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 111.258 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.45 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.51 80.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.413 ' CG ' ' HA2' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -107.28 119.86 40.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.574 ' HZ2' HD21 ' A' ' 30' ' ' LEU . 1.6 mptp? -52.19 106.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.65 142.55 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 -157.01 18.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.545 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -79.96 82.6 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.72 -20.51 2.72 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.421 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.57 159.72 33.04 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.48 173.84 6.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.56 173.54 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.47 176.83 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.766 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 22' ' ' TYR . 5.5 m -81.64 168.02 27.23 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.628 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 50.6 Cg_exo -53.4 -23.0 22.72 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.331 2.021 . . . . 0.0 112.085 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.83 -50.77 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.439 ' HD2' ' HB2' ' A' ' 19' ' ' CYS . 22.6 m-85 -79.88 153.28 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.7 m -141.49 156.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 111.273 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.1 t -85.74 124.09 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.767 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -57.17 143.78 71.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.7 -30.56 7.59 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.579 2.186 . . . . 0.0 112.229 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -96.23 -33.36 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -110.39 168.93 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.54 59.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.574 HD21 ' HZ2' ' A' ' 10' ' ' LYS . 1.1 mt -141.04 138.92 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.999 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.3 m -84.49 117.79 23.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.27 164.94 28.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.802 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 35.2 m-85 -58.27 159.11 12.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.344 0.299 0 C-N-CA 122.54 2.16 . . . . 0.0 112.279 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -81.56 115.79 4.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -99.11 -134.52 8.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.586 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.49 -28.61 65.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 111.25 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.18 79.66 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.204 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -116.41 119.79 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -50.86 122.05 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -131.77 142.28 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.74 -138.05 6.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -80.0 88.87 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 30.43 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.396 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -150.2 166.79 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -84.93 164.1 11.75 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.049 2.499 . . . . 0.0 112.277 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 162.83 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.3 150.14 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 4.4 m -60.37 169.4 1.75 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 37.5 Cg_exo -56.93 -23.45 51.52 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.706 2.271 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -84.11 -40.58 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.281 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.421 ' O ' HG13 ' A' ' 23' ' ' VAL . 10.3 m-85 -100.18 173.65 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.39 . . . . 0.0 111.155 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 22' ' ' TYR . 20.4 m -157.22 159.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.0 t -79.97 118.76 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -57.78 142.23 78.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.38 -33.72 10.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.595 2.197 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -88.67 -42.73 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -109.53 145.87 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.6 60.4 3.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.746 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.2 mp -142.38 153.4 43.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -91.68 122.29 34.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.772 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.95 -177.19 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -60.06 157.07 33.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo . . . . . 0 C--N 1.345 0.358 0 C-N-CA 122.598 2.199 . . . . 0.0 112.297 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.21 109.88 2.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.31 31.21 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.736 0.303 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 t -63.25 160.81 14.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.439 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -83.12 111.97 3.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.244 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.53 -136.53 6.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.79 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.07 -22.92 60.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.261 . . . . 0.0 111.351 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.557 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.2 79.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.411 ' CB ' ' HA2' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -112.64 119.75 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -51.87 119.75 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.69 161.62 31.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.93 -141.96 9.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -80.02 91.65 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.26 32.7 1.76 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.206 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -137.99 168.49 16.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -84.93 174.31 7.48 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.01 2.473 . . . . 0.0 112.221 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.25 153.06 22.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -79.32 160.18 26.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.725 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' HD1' ' A' ' 22' ' ' TYR . 21.4 m -60.63 163.53 8.99 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.13 -21.26 27.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.555 2.17 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -96.64 -33.12 11.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.297 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' HD1' ' HB2' ' A' ' 19' ' ' CYS . 59.0 m-85 -97.22 156.31 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.011 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -144.82 156.72 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 t -82.01 115.74 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.6 t -60.37 142.12 90.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.62 -37.24 7.36 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.542 2.161 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pttp -79.95 -44.67 19.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' HB3' HD12 ' A' ' 30' ' ' LEU . 53.8 m95 -112.86 135.86 53.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 65.71 3.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.557 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.4 mt -143.05 145.71 33.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.1 m -87.16 117.12 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -148.77 176.61 10.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -59.45 157.01 27.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.46 -30.6 29.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.473 2.116 . . . . 0.0 112.256 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.2 ptm -178.7 145.1 0.47 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.444 2.096 . . . . 0.0 112.271 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.82 39.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.572 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -61.74 -47.96 82.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.64 -169.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.771 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -72.32 107.16 2.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.31 -142.63 6.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.552 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -69.58 -23.62 63.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.672 0.272 . . . . 0.0 111.214 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.632 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.0 78.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.98 116.07 29.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -51.96 110.02 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.219 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -117.08 142.38 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.95 -146.99 8.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.99 113.19 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.826 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.52 40.94 3.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.271 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.09 175.92 2.89 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -85.42 -170.74 0.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.046 2.498 . . . . 0.0 112.213 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.94 167.84 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.3 150.62 24.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.4 m -59.57 171.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 33.4 Cg_exo -58.84 -25.58 77.17 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.769 2.313 . . . . 0.0 112.458 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -38.93 24.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.431 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.555 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.6 m-85 -103.5 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 111.24 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 22' ' ' TYR . 5.4 m -159.79 157.21 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -79.93 117.53 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.55 141.8 91.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.35 -38.06 16.12 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.245 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -79.97 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.515 ' HB3' HD12 ' A' ' 30' ' ' LEU . 97.7 m95 -96.73 146.03 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.56 65.68 3.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.6 mt -141.86 143.55 33.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.2 m -84.71 124.39 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -150.76 -177.44 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -66.98 159.01 78.84 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.43 106.74 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.587 2.192 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.1 tpt 60.19 88.91 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.599 2.199 . . . . 0.0 112.241 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.766 0.317 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.64 -151.83 5.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -113.5 30.78 6.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.45 169.49 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.07 -179.89 48.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.21 -130.22 1.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -73.19 -31.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.844 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.13 73.86 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -113.49 122.86 48.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' NZ ' HD21 ' A' ' 30' ' ' LEU . 2.1 mptt -52.64 130.66 32.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.1 p -139.13 142.36 38.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.6 -153.67 19.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -80.0 93.22 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.0 28.95 3.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.241 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -142.0 164.66 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.685 0.279 . . . . 0.0 110.739 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 142.75 85.8 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.474 2.116 . . . . 0.0 112.246 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.67 166.84 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.46 149.68 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.463 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 4.4 m -72.09 169.23 17.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 50.0 Cg_exo -55.26 -25.05 45.01 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.708 2.272 . . . . 0.0 112.49 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -25.07 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.331 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.438 ' O ' HG13 ' A' ' 23' ' ' VAL . 5.9 m-85 -118.4 178.37 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.066 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 22' ' ' TYR . 7.9 m -156.36 157.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 t -81.9 120.02 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.795 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.8 142.72 71.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.21 -40.69 0.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.587 2.191 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -80.03 -39.63 29.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -106.27 -178.48 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.05 50.04 0.85 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 8' ' ' TRP . 2.5 mt -135.12 157.2 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.8 m -97.58 131.13 44.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.768 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -150.02 176.96 10.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -61.1 157.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.34 133.4 24.41 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.528 2.152 . . . . 0.0 112.261 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.4 ttt 61.08 80.81 0.25 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.249 1.051 0 C-N-CA 122.595 2.197 . . . . 0.0 112.294 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.807 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.49 -141.03 7.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.28 168.13 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.1 p -61.14 -173.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.08 112.73 3.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.54 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.41 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.2 -141.94 7.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.576 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.99 -24.97 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.681 0.277 . . . . 0.0 111.204 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.63 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -157.31 79.19 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.059 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.13 119.1 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.67 124.45 9.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -129.74 142.48 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.95 -147.52 11.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -80.09 97.01 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.826 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.72 30.78 2.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.335 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.43 170.39 8.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.775 0.322 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -84.91 161.4 11.91 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.018 2.478 . . . . 0.0 112.217 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 161.99 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -81.52 149.18 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.1 m -59.68 173.76 0.5 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 33.2 Cg_exo -60.48 -22.81 73.25 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.739 2.293 . . . . 0.0 112.62 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -88.53 -32.84 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 21.2 m-85 -106.87 168.75 8.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 111.311 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.16 158.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -79.9 110.23 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 t -60.85 142.09 92.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.54 -31.41 17.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.573 2.182 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -80.02 -51.29 9.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -110.25 139.08 45.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.97 62.21 4.23 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.63 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.1 mt -142.36 155.28 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.2 m -91.75 122.08 33.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -149.44 -175.08 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -59.91 153.74 52.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.8 156.75 43.9 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -131.94 142.52 45.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.45 2.1 . . . . 0.0 112.282 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.834 0.349 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.02 -26.32 25.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.584 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -136.0 47.63 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.99 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 p -110.94 -164.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -97.77 134.9 11.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -103.84 -135.26 8.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 33' ' ' PHE . 16.3 t80 -71.56 -26.7 62.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.665 0.269 . . . . 0.0 111.351 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.727 ' CE2' HD22 ' A' ' 30' ' ' LEU . 1.9 t90 -159.96 67.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.23 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.724 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -89.57 -173.52 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.246 179.411 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -114.43 107.1 15.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 p -114.17 142.18 46.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.9 -150.9 20.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -80.12 94.51 6.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.33 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.31 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -144.25 170.57 8.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -84.96 161.19 11.8 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.037 2.492 . . . . 0.0 112.182 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.96 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 m -75.09 150.2 38.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -59.64 175.21 0.38 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 23.6 Cg_exo -62.94 -18.89 67.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.847 2.365 . . . . 0.0 112.704 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -95.04 -27.21 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.662 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 12.5 m-85 -112.46 160.94 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 0.0 111.292 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -143.6 161.22 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.6 t -79.81 116.68 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -58.11 144.15 76.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.93 -37.51 19.45 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.265 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -79.94 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.5 m95 -86.55 156.45 20.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.05 54.5 1.85 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.651 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 8' ' ' TRP . 1.1 mp -130.48 165.87 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.941 0.401 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.7 m -104.33 120.04 40.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -142.76 -175.73 4.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 7' ' ' PHE . 31.0 m-85 -60.77 155.28 52.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.88 93.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.629 2.219 . . . . 0.0 112.273 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.1 tpp 56.82 89.32 0.11 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.535 2.156 . . . . 0.0 112.296 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.66 118.07 1.13 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -152.89 133.21 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p -62.23 -171.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -82.91 134.57 13.0 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -106.93 -136.91 8.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.64 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.482 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 18.2 t80 -67.21 -26.96 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.665 0.269 . . . . 0.0 111.334 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.776 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.71 79.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 111.13 -179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -119.03 122.46 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.82 128.5 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -130.8 142.41 50.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.28 -148.98 18.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.3 m -79.92 96.29 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.39 29.9 2.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.251 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.28 171.47 6.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -84.81 155.85 11.7 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.998 2.465 . . . . 0.0 112.237 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.87 163.5 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.214 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.46 140.98 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.695 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -59.93 172.83 0.63 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 34.7 Cg_exo -58.96 -23.94 70.66 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.761 2.307 . . . . 0.0 112.531 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.9 -26.75 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 8.5 m-85 -114.43 173.66 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 111.148 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 22' ' ' TYR . 18.1 m -156.84 156.9 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.6 t -81.55 116.2 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.81 143.65 76.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.44 -35.55 2.78 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.618 2.212 . . . . 0.0 112.382 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -79.99 -42.05 24.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -107.46 -175.87 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.23 51.15 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.204 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.8 mt -134.74 154.3 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 0.0 111.162 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -93.43 127.18 38.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.672 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -149.52 -178.01 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.482 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 65.5 m-85 -69.63 147.67 96.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -74.61 165.87 30.65 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.54 2.16 . . . . 0.0 112.282 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.0 mtt -92.95 144.61 28.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.531 2.154 . . . . 0.0 112.338 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.873 0.368 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.85 86.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -112.39 126.1 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 p -109.47 -171.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -82.6 130.79 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -102.84 -138.84 10.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.604 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 15.5 t80 -66.77 -25.97 66.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.61 0.243 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.737 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.12 78.24 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 111.126 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -118.7 120.13 36.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -50.3 126.3 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -131.87 142.39 49.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.77 -153.45 14.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -80.03 94.12 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.9 30.8 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -143.54 162.5 41.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.659 0.266 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.0 147.6 84.75 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.512 2.141 . . . . 0.0 112.198 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.98 22.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.22 140.45 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -59.14 172.69 0.53 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 32.4 Cg_exo -58.72 -26.35 79.39 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.774 2.316 . . . . 0.0 112.444 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -25.53 35.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.48 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.1 m-85 -117.13 176.27 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 22' ' ' TYR . 4.6 m -159.98 158.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.977 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.87 115.36 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.5 t -57.41 145.32 68.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.76 -36.65 2.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.613 2.209 . . . . 0.0 112.249 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -80.98 -45.62 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -104.15 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.78 51.01 0.73 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.737 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.4 mt -134.23 155.88 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.086 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m -92.97 126.8 38.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -150.34 -177.12 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 15.3 m-85 -61.22 146.54 88.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -65.39 -72.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.412 2.075 . . . . 0.0 112.33 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.3 mtt -157.8 145.07 13.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.557 2.171 . . . . 0.0 112.336 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.852 0.358 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.04 -28.17 17.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -86.55 -32.26 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.8 p -77.14 -172.08 2.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -75.72 111.14 3.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -85.82 -144.58 7.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.572 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.37 -24.49 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.27 . . . . 0.0 111.214 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.19 78.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.014 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -115.69 119.47 36.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HD3' HD21 ' A' ' 30' ' ' LEU . 21.6 mmtt -51.19 120.56 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.257 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.65 142.42 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.44 -151.93 17.62 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -80.08 84.56 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.94 -23.57 2.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.299 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -96.11 168.87 9.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.736 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -84.51 169.21 11.03 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.957 2.438 . . . . 0.0 112.239 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.93 160.33 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -80.62 150.53 29.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.2 m -61.15 173.11 0.75 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 35.2 Cg_exo -59.22 -19.36 49.49 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.775 2.316 . . . . 0.0 112.625 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -93.77 -36.95 12.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.47 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 29.5 m-85 -100.09 161.07 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.0 m -146.47 155.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 t -80.08 110.84 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -59.35 141.31 87.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.39 -37.71 7.32 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.52 2.146 . . . . 0.0 112.362 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -42.36 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -112.47 134.54 53.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.01 60.18 4.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.746 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.5 mt -142.34 153.66 44.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -91.86 127.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -154.75 175.69 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -62.67 155.91 67.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.38 -39.51 7.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.575 2.183 . . . . 0.0 112.254 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.9 tpp -177.35 135.07 0.38 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.758 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--O 1.249 1.074 0 C-N-CA 122.498 2.132 . . . . 0.0 112.362 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.815 0.34 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.09 113.98 5.66 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -135.6 92.82 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.958 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.6 p -142.34 -165.03 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -100.97 164.8 18.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -135.83 -128.03 2.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' CD2' ' CE2' ' A' ' 33' ' ' PHE . 13.8 t80 -69.43 -31.55 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.069 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 78.03 0.66 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.426 ' CG ' ' HA2' ' A' ' 5' ' ' GLY . 6.7 m95 -111.32 124.86 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -57.95 119.58 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.73 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.08 -149.58 16.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.5 p -80.71 89.13 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.77 29.79 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 23.7 mmtm -144.76 162.57 37.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.675 0.274 . . . . 0.0 110.784 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 49.6 Cg_endo -69.04 149.81 71.91 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.459 2.106 . . . . 0.0 112.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 164.22 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.056 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -82.56 143.69 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -59.51 168.93 1.53 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 24.6 Cg_endo -62.12 -15.99 47.57 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.363 2.042 . . . . 0.0 112.483 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.41 -24.79 20.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 3.5 m-85 -117.3 169.46 9.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -143.44 159.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.5 t -79.96 124.08 28.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.74 139.04 69.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.15 -45.93 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.567 2.178 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -80.16 -47.85 14.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -93.09 -175.55 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.17 47.96 0.99 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.3 mt -132.24 155.26 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 111.055 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.7 m -97.97 123.07 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -137.36 179.03 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 72.0 m-85 -60.54 157.2 38.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.02 94.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.577 2.184 . . . . 0.0 112.272 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.0 tpp -146.89 69.01 11.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.249 1.048 0 C-N-CA 122.571 2.18 . . . . 0.0 112.282 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.817 0.341 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.97 -28.91 13.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.1 -32.29 18.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.0 p -76.07 -171.66 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -81.85 112.72 3.53 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.487 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.82 -144.53 6.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.549 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -69.51 -19.41 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.587 0.232 . . . . 0.0 111.181 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.551 ' NE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.0 76.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 111.018 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.19 118.53 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.776 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HD3' HD21 ' A' ' 30' ' ' LEU . 22.3 mmtt -49.89 123.61 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.266 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.94 142.44 51.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.54 -151.8 15.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 m -80.04 84.01 5.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.81 -23.48 2.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.197 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -94.76 168.38 11.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.722 0.296 . . . . 0.0 110.756 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -84.5 171.28 9.96 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.932 2.421 . . . . 0.0 112.249 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 155.65 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -76.45 153.08 35.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.693 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -60.05 174.75 0.44 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.938 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 30.2 Cg_exo -60.86 -21.84 71.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.772 2.315 . . . . 0.0 112.658 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.33 -33.37 13.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.559 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 5' ' ' GLY . 34.0 m-85 -103.0 162.94 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 111.295 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -152.34 160.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.88 110.36 15.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 t -61.71 143.0 94.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.69 -34.04 12.1 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.94 -47.72 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -111.49 136.26 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.95 61.99 4.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.551 HD13 ' NE1' ' A' ' 8' ' ' TRP . 1.2 mt -142.78 157.37 44.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.5 m -92.17 120.88 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -154.4 -174.29 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -60.14 155.5 44.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.06 -28.09 29.04 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.598 2.199 . . . . 0.0 112.214 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.5 tpt -127.74 87.88 54.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.571 2.18 . . . . 0.0 112.329 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.833 0.349 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.62 54.26 0.74 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -121.15 139.94 52.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.818 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.1 p -61.53 -171.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -79.73 121.59 5.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.406 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.98 -144.8 15.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.627 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.6 -25.2 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.298 . . . . 0.0 111.317 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.642 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 111.071 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.76 118.55 36.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -53.42 111.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 p -116.86 142.42 46.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.93 -145.61 6.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -84.22 92.08 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.87 33.12 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.424 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -144.93 155.59 55.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.53 161.63 45.13 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.555 2.17 . . . . 0.0 112.255 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 165.14 22.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -79.37 161.54 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.708 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -68.83 174.69 2.49 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 34.0 Cg_exo -59.04 -20.78 55.51 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.814 2.343 . . . . 0.0 112.604 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -95.19 -38.56 10.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.48 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 50.3 m-85 -95.95 159.61 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 111.242 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 m -147.96 155.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.8 t -79.92 113.95 18.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -60.06 140.77 90.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.83 -37.79 14.98 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.554 2.17 . . . . 0.0 112.395 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -80.03 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.6 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.6 m95 -109.05 139.87 43.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.01 64.78 4.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mp -142.27 141.83 32.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 0.0 111.018 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.7 m -83.54 123.96 30.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.757 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -150.53 -177.98 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -69.36 155.4 93.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.0 146.45 57.89 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.635 2.223 . . . . 0.0 112.231 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mtm 59.01 89.54 0.1 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.563 2.176 . . . . 0.0 112.33 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.785 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.06 101.93 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -111.61 70.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p -109.16 -163.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -94.01 119.74 6.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.15 -133.7 6.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.66 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -76.89 -25.46 53.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.69 0.281 . . . . 0.0 111.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -157.67 64.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.784 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.7 -175.27 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.485 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -118.99 104.83 10.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -117.58 142.3 47.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.8 -148.61 9.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 p -80.2 95.64 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.4 29.16 3.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -142.98 170.91 7.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -84.87 165.16 11.74 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.305 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.33 165.51 21.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.059 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.84 169.08 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.659 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.425 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -68.85 175.5 1.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 19' ' ' CYS . 26.2 Cg_exo -61.73 -23.13 75.82 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.807 2.338 . . . . 0.0 112.664 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -35.59 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.593 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 5' ' ' GLY . 52.5 m-85 -99.55 157.28 16.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.32 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.96 158.9 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.7 t -80.01 118.83 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 143.17 98.26 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.022 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.79 -35.09 16.79 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -79.94 -67.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.578 ' HB3' HD12 ' A' ' 30' ' ' LEU . 70.9 m95 -90.64 140.56 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.53 58.89 4.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.626 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 9' ' ' TRP . 1.1 mt -136.25 163.41 30.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.912 0.387 . . . . 0.0 111.039 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.33 119.05 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -136.6 -179.47 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -59.7 154.7 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.05 -167.84 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.636 2.224 . . . . 0.0 112.345 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.1 mmt -127.58 148.57 67.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.554 2.17 . . . . 0.0 112.293 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.27 -112.0 3.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -158.64 70.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -84.22 -171.9 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.45 122.89 5.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.16 -133.63 8.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.588 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -71.64 -26.72 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 111.377 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.828 ' CE2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -158.37 77.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 111.19 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -112.76 122.05 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -53.98 114.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -118.53 142.8 47.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.5 -144.42 10.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.438 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.02 94.25 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.345 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.88 33.82 1.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.429 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 153.67 23.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.98 166.26 28.45 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.588 2.192 . . . . 0.0 112.331 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.94 163.91 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -79.3 146.86 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.773 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -57.36 168.37 0.99 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 27.4 Cg_endo -62.47 -15.61 46.61 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.45 2.1 . . . . 0.0 112.471 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.44 -26.32 18.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 13.2 m-85 -114.57 168.12 10.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.854 0.359 . . . . 0.0 111.027 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.0 157.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.3 t -85.13 117.58 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.26 142.04 96.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.62 -38.43 4.4 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.528 2.152 . . . . 0.0 112.336 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -80.03 -43.51 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.595 ' HB3' HD12 ' A' ' 30' ' ' LEU . 56.9 m95 -112.22 135.32 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.99 63.26 4.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.828 HD22 ' CE2' ' A' ' 8' ' ' TRP . 1.1 mt -140.74 149.15 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -92.76 124.95 37.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -152.16 169.45 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -60.03 156.22 38.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.34 -27.94 10.9 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.563 2.176 . . . . 0.0 112.394 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.49 162.12 6.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--O 1.249 1.059 0 C-N-CA 122.57 2.18 . . . . 0.0 112.313 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.46 28.36 0.38 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.79 60.14 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -104.91 -174.56 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.874 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.92 117.38 4.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -87.11 -141.9 7.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.542 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -68.76 -24.92 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.688 0.28 . . . . 0.0 111.306 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.709 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -157.99 76.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 0.0 111.104 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.4 ' CE3' ' O ' ' A' ' 4' ' ' CYS . 2.0 m95 -114.37 124.73 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -48.11 131.02 16.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.388 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -146.17 142.41 28.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.65 -140.33 7.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.1 m -79.91 86.55 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 29.27 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.169 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -143.97 168.15 13.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.755 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -85.14 160.37 11.48 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.06 2.507 . . . . 0.0 112.182 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 165.18 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.14 -172.99 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.3 m -100.46 171.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 52.2 Cg_exo -54.99 -21.82 28.28 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.635 2.223 . . . . 0.0 112.438 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -87.88 -46.82 9.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.268 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 9.4 m-85 -93.79 175.82 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 111.039 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 22' ' ' TYR . 29.0 m -156.95 155.23 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 t -80.48 118.21 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -57.7 143.67 75.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.7 -37.03 3.25 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.566 2.177 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -85.25 -45.19 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -101.61 164.5 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.15 59.55 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.709 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mt -141.3 153.81 45.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.7 m -95.75 123.8 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.719 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.59 173.84 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.418 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 81.0 m-85 -62.91 153.36 80.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.93 -28.86 15.86 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.59 2.193 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -143.89 155.99 59.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.57 2.18 . . . . 0.0 112.242 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.786 0.327 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.15 -110.59 2.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -158.1 73.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.1 p -86.22 -169.89 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.86 118.34 5.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.427 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -90.42 -135.2 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.619 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 111.22 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.663 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -156.33 78.95 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.025 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -115.91 119.09 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -53.13 116.46 2.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.4 p -121.44 142.51 49.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.9 -144.54 9.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.94 97.03 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.13 31.75 1.82 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.69 169.87 8.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -85.33 167.83 10.38 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.087 2.525 . . . . 0.0 112.258 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.96 159.52 26.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.57 147.36 35.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.785 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 20' ' ' PRO . 0.8 OUTLIER -56.93 168.11 0.92 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.695 179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 19' ' ' CYS . 28.5 Cg_endo -62.93 -15.45 47.61 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.436 2.091 . . . . 0.0 112.441 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -90.74 -25.96 19.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 14.1 m-85 -118.53 175.78 5.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.999 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 22' ' ' TYR . 23.5 m -156.35 160.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.98 113.92 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -60.89 142.09 92.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.0 -37.15 6.52 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.491 2.127 . . . . 0.0 112.283 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.0 -50.96 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.54 ' HB3' HD12 ' A' ' 30' ' ' LEU . 74.2 m95 -107.15 136.99 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 64.63 3.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.663 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.1 mt -142.04 151.61 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.6 m -92.29 121.61 33.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -148.52 173.47 13.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -59.59 158.56 21.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.01 -43.04 1.78 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.566 2.178 . . . . 0.0 112.332 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -112.67 149.02 40.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo . . . . . 0 C--O 1.249 1.059 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.807 0.336 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.56 128.66 2.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -140.05 70.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t -111.65 169.82 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.768 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -85.94 103.87 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.587 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -92.74 -135.5 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.579 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -68.04 -29.54 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.279 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.638 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -160.03 81.76 0.71 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.082 -179.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.39 123.88 48.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -50.96 122.24 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -130.37 143.59 50.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.55 -149.55 18.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -80.08 83.66 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.93 -22.64 1.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.454 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 17.3 mmtm -105.56 157.42 34.57 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 51.3 Cg_endo -69.23 176.78 5.92 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.6 2.2 . . . . 0.0 112.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.14 158.98 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.37 152.56 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.48 163.69 4.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.27 -15.13 42.64 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.472 2.115 . . . . 0.0 112.627 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -90.71 -26.17 19.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.351 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 2.4 m-85 -115.49 164.46 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.183 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 m -137.54 156.86 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.43 123.85 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.71 141.78 94.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.15 -46.99 1.23 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.561 2.174 . . . . 0.0 112.347 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -80.03 -43.39 21.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' HB3' HD12 ' A' ' 30' ' ' LEU . 37.4 m95 -103.8 132.06 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 62.48 4.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.638 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.2 mt -141.3 146.98 37.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.7 m -89.94 127.74 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -154.3 168.45 26.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 53.9 m-85 -62.01 160.3 30.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.28 -66.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.648 2.232 . . . . 0.0 112.045 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.2 tpp -179.7 70.91 0.17 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--O 1.249 1.057 0 C-N-CA 122.533 2.155 . . . . 0.0 112.318 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.794 0.331 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.0 108.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.433 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.436 ' HG3' ' CH2' ' A' ' 9' ' ' TRP . 2.6 mp0 -125.95 97.54 5.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -109.03 161.08 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.755 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -70.47 110.68 3.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.559 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -98.88 -134.88 8.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 17.2 t80 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.03 83.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.038 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 3' ' ' GLU . 2.7 m95 -120.8 116.32 24.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HD3' HD21 ' A' ' 30' ' ' LEU . 14.7 mmtm -48.1 129.03 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.286 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -135.45 142.45 45.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.11 -145.26 8.78 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 99.91 7.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.66 28.92 3.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 170.87 7.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -84.89 174.31 7.52 Favored 'Trans proline' 0 N--CA 1.455 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 112.176 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.16 154.86 20.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.736 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -58.11 162.14 6.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.724 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.9 -18.43 34.87 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.526 2.15 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -85.4 -30.53 23.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' O ' HG13 ' A' ' 23' ' ' VAL . 12.2 m-85 -115.66 176.08 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.112 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 22' ' ' TYR . 27.3 m -157.33 160.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.6 t -80.0 109.73 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 143.34 80.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.87 -37.32 3.79 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.656 2.238 . . . . 0.0 112.277 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -79.96 -34.48 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -124.56 134.6 52.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.96 62.58 4.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD21 ' HD3' ' A' ' 10' ' ' LYS . 1.1 mt -142.47 151.74 42.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.13 123.3 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.782 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -153.27 179.87 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE1' ' CD1' ' A' ' 7' ' ' PHE . 68.7 m-85 -59.58 154.37 45.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.25 -27.5 28.81 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.559 2.173 . . . . 0.0 112.322 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 56.7 tpp -158.95 87.29 2.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.556 2.171 . . . . 0.0 112.32 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.848 0.356 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.93 123.67 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -137.28 75.35 1.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 t -114.49 169.41 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -88.3 100.87 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.518 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -86.73 -132.59 3.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.548 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -73.93 -28.51 61.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CE2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -157.98 78.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.048 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.71 121.31 42.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.45 121.34 6.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -132.41 144.74 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.4 -149.92 12.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -80.02 85.43 5.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.01 -23.62 2.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -100.09 161.46 24.16 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.305 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.46 175.62 7.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.267 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.46 157.84 20.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.1 m -78.34 153.13 31.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.31 163.66 4.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.52 -16.2 46.21 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.503 2.136 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -88.34 -26.19 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.191 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 10.0 m-85 -120.13 173.59 7.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.378 . . . . 0.0 111.062 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 m -149.4 160.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 t -79.83 118.55 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -59.61 143.4 86.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.67 -44.82 1.91 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.03 -50.1 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -99.29 133.71 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.93 60.13 4.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' A' ' 8' ' ' TRP . 1.2 mt -140.1 154.69 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.01 125.84 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -151.54 -176.13 5.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -65.74 152.38 93.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.34 -22.37 18.83 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.8 tpp 63.61 78.9 0.27 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.249 1.033 0 C-N-CA 122.569 2.179 . . . . 0.0 112.318 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.98 77.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -115.4 -170.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.7 t -103.79 160.95 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.413 ' HA2' ' CG ' ' A' ' 9' ' ' TRP . . . -71.01 124.13 11.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.317 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.7 -136.39 9.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.771 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -67.81 -27.65 66.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 111.258 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.45 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.51 80.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.413 ' CG ' ' HA2' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -107.28 119.86 40.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.574 ' HZ2' HD21 ' A' ' 30' ' ' LEU . 1.6 mptp? -52.19 106.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.267 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.65 142.55 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 -157.01 18.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.545 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -79.96 82.6 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.72 -20.51 2.72 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.421 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.57 159.72 33.04 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.48 173.84 6.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.537 2.158 . . . . 0.0 112.245 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.56 173.54 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.47 176.83 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.766 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 22' ' ' TYR . 5.5 m -81.64 168.02 27.23 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.628 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 50.6 Cg_exo -53.4 -23.0 22.72 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.331 2.021 . . . . 0.0 112.085 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.83 -50.77 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.439 ' HD2' ' HB2' ' A' ' 19' ' ' CYS . 22.6 m-85 -79.88 153.28 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.7 m -141.49 156.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 111.273 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.1 t -85.74 124.09 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.767 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -57.17 143.78 71.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.7 -30.56 7.59 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.579 2.186 . . . . 0.0 112.229 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -96.23 -33.36 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -110.39 168.93 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.54 59.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.574 HD21 ' HZ2' ' A' ' 10' ' ' LYS . 1.1 mt -141.04 138.92 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.999 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.3 m -84.49 117.79 23.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.27 164.94 28.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.802 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 22' ' ' TYR . 35.2 m-85 -58.27 159.11 12.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.6 -33.41 13.47 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.54 2.16 . . . . 0.0 112.279 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.1 148.5 0.54 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.506 2.137 . . . . 0.0 112.269 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 120.583 0.23 . . . . 0.0 111.532 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 1' ' ' GLU . . . -126.58 133.47 8.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -99.52 31.05 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.817 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.32 168.32 14.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -81.56 115.79 4.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -99.11 -134.52 8.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.586 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.49 -28.61 65.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 111.25 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CD2' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -158.18 79.66 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.204 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -116.41 119.79 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -50.86 122.05 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 p -131.77 142.28 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.74 -138.05 6.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -80.0 88.87 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.7 30.43 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.396 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -150.2 166.79 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -84.93 164.1 11.75 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.049 2.499 . . . . 0.0 112.277 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 162.83 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.3 150.14 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 4.4 m -60.37 169.4 1.75 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 19' ' ' CYS . 37.5 Cg_exo -56.93 -23.45 51.52 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.706 2.271 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -84.11 -40.58 18.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.281 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.421 ' O ' HG13 ' A' ' 23' ' ' VAL . 10.3 m-85 -100.18 173.65 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.39 . . . . 0.0 111.155 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 22' ' ' TYR . 20.4 m -157.22 159.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.0 t -79.97 118.76 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -57.78 142.23 78.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.38 -33.72 10.68 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.595 2.197 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -88.67 -42.73 11.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -109.53 145.87 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.6 60.4 3.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.746 HD22 ' CD2' ' A' ' 8' ' ' TRP . 1.2 mp -142.38 153.4 43.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -91.68 122.29 34.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.772 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -149.95 -177.19 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -60.06 157.07 33.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.84 115.66 2.27 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.598 2.199 . . . . 0.0 112.297 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.1 ptm -153.5 88.1 3.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.525 2.15 . . . . 0.0 112.249 179.992 . . . . . . . . 0 0 . 1 stop_ save_