data_2drn_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 2drn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 120.587 0.232 . . . . 99.99 110.437 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.96 128.82 15.42 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.511 1.269 . . . . 99.99 110.677 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 -166.93 0.3 Allowed 'Trans proline' 0 C--N 1.314 -1.277 0 O-C-N 123.525 1.277 . . . . 99.99 110.421 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.73 -34.14 5.64 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.646 -1.382 . . . . 99.99 109.646 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.19 -17.68 64.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.196 -1.179 . . . . 99.99 110.427 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -72.03 -66.3 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.198 -0.939 . . . . 99.99 110.636 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -54.39 -31.67 55.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.28 -0.887 . . . . 99.99 110.459 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tp -69.12 -55.54 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 99.99 110.438 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -48.28 81.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.16 -0.962 . . . . 99.99 110.487 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -44.02 63.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.167 -0.958 . . . . 99.99 110.249 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.0 -49.0 64.24 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.925 -1.67 . . . . 99.99 108.925 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -53.92 -35.21 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -1.067 . . . . 99.99 109.677 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.448 ' CG2' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -66.52 -31.32 71.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.361 -0.837 . . . . 99.99 110.251 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.7 -23.91 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 99.99 110.848 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.23 -51.82 7.99 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.028 -1.045 . . . . 99.99 109.002 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.4 t -59.37 -34.69 55.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 121.211 0.529 . . . . 99.99 110.397 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.55 -29.58 41.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.959 . . . . 99.99 110.397 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -55.09 6.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.202 -0.936 . . . . 99.99 110.32 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -33.88 41.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -0.913 . . . . 99.99 110.482 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.37 63.55 8.08 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.271 -0.893 . . . . 99.99 110.112 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.56 160.26 50.08 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.65 1.342 . . . . 99.99 110.597 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.61 -42.18 2.7 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.798 1.42 . . . . 99.99 110.419 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.77 116.94 27.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.159 -0.963 . . . . 99.99 110.348 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.62 -33.49 62.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.887 . . . . 99.99 109.991 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.9 t -50.44 -54.81 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.875 . . . . 99.99 109.896 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.34 -46.97 74.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.627 -0.671 . . . . 99.99 110.071 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -56.78 -36.07 69.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 99.99 109.802 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.0 79.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 99.99 110.042 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 39' ' ' THR . 92.5 t -64.59 -28.21 44.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.282 -0.886 . . . . 99.99 110.039 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -70.48 -49.36 49.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 99.99 110.703 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.01 -70.14 0.2 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -0.813 . . . . 99.99 111.293 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -48.03 -53.04 17.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.244 -0.91 . . . . 99.99 111.351 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 22.3 m -48.9 -41.67 34.34 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 99.99 110.275 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -71.37 -28.14 63.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 99.99 109.573 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -31.87 66.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 99.99 109.909 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -18.1 60.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.291 -0.881 . . . . 99.99 110.528 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.12 -0.987 . . . . 99.99 110.636 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 110.142 -0.318 . . . . 99.99 110.142 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.13 135.51 23.01 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.664 1.349 . . . . 99.99 110.425 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.82 166.19 28.68 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.561 1.295 . . . . 99.99 110.292 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -37.05 3.85 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.735 -1.346 . . . . 99.99 109.735 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.15 -51.46 69.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -1.131 . . . . 99.99 110.167 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -61.73 -47.2 86.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.328 -0.858 . . . . 99.99 110.176 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.33 -35.31 71.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 99.99 110.163 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.61 -59.2 3.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.291 -0.881 . . . . 99.99 110.259 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.07 -35.93 65.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 99.99 109.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.22 -51.94 60.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 99.99 109.786 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.32 -41.55 98.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.786 -1.726 . . . . 99.99 108.786 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.85 -48.55 73.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -1.058 . . . . 99.99 109.652 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -51.35 -38.06 51.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.255 -0.903 . . . . 99.99 110.138 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.59 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.286 -0.884 . . . . 99.99 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.81 -39.32 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.672 -0.643 . . . . 99.99 111.221 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.76 -43.37 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.938 -1.102 . . . . 99.99 109.773 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.41 -46.82 21.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 99.99 110.345 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -50.54 70.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.109 -0.995 . . . . 99.99 110.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -34.92 60.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 99.99 110.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.18 55.68 16.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.377 -0.827 . . . . 99.99 110.288 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.16 161.75 44.84 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.728 1.383 . . . . 99.99 110.429 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.13 -50.92 0.3 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.709 1.373 . . . . 99.99 110.222 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.61 122.14 44.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.895 . . . . 99.99 110.124 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.57 -27.14 58.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 99.99 110.216 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.06 -68.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 99.99 110.312 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -53.58 -42.29 67.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.781 . . . . 99.99 109.835 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -57.42 -53.32 59.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 99.99 109.787 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.59 54.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.331 -0.856 . . . . 99.99 110.26 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 64.0 t -71.19 -33.16 49.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.253 -0.904 . . . . 99.99 110.116 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.267 -0.896 . . . . 99.99 110.549 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -77.15 -67.32 0.72 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.132 -0.98 . . . . 99.99 110.465 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -53.75 -45.52 70.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -0.928 . . . . 99.99 110.527 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -57.08 -36.98 71.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.13 -0.981 . . . . 99.99 110.15 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttt85 -73.74 -30.16 62.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.931 . . . . 99.99 110.084 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -41.48 81.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 99.99 109.845 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -34.33 29.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 99.99 110.22 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 99.99 109.98 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.247 0.546 . . . . 99.99 110.108 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.84 -39.72 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.867 . . . . 99.99 110.094 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.88 -16.86 53.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 99.99 110.287 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -94.88 -43.23 8.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 99.99 109.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.84 61.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.357 -0.839 . . . . 99.99 109.877 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.448 ' CB ' ' CG2' ' A' ' 19' ' ' THR . . . -80.06 -20.39 45.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.246 -0.909 . . . . 99.99 109.683 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -78.53 -34.26 47.31 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.132 -0.98 . . . . 99.99 109.632 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -79.6 -39.99 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.286 -0.884 . . . . 99.99 110.113 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.3 OUTLIER -55.43 -41.7 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.967 . . . . 99.99 109.181 179.588 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . 0.423 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 89.5 t -64.07 -40.79 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.545 -0.722 . . . . 99.99 109.784 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -29.41 33.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.477 -0.764 . . . . 99.99 110.761 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -46.21 25.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.069 -1.02 . . . . 99.99 110.441 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.46 -45.51 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 99.99 110.152 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -27.0 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.167 -0.958 . . . . 99.99 110.344 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.81 -22.07 63.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 99.99 110.411 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -101.36 -50.46 3.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -0.902 . . . . 99.99 110.807 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.162 -0.961 . . . . 99.99 110.725 -179.441 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.939 -0.393 . . . . 99.99 109.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -71.38 112.67 3.4 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.589 1.31 . . . . 99.99 110.772 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.79 174.82 11.21 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.611 1.322 . . . . 99.99 110.332 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.94 -7.93 80.96 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.251 -1.14 . . . . 99.99 110.251 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.5 tp -66.18 -13.0 59.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.862 -1.375 . . . . 99.99 110.731 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 m -79.85 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 99.99 110.511 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -31.0 11.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 99.99 110.618 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -53.9 9.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 99.99 110.351 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.41 -60.97 2.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 99.99 110.439 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' HG3' ' CG2' ' C' ' 11' ' ' VAL . 0.0 OUTLIER -50.67 -36.67 36.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.171 -0.956 . . . . 99.99 110.335 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -55.84 -42.88 86.95 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.829 -1.708 . . . . 99.99 108.829 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.416 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 13.4 t80 -62.66 -39.15 92.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.471 -1.017 . . . . 99.99 109.762 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.431 ' CG2' ' HB3' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -61.64 -33.5 74.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.422 -0.799 . . . . 99.99 110.212 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -76.25 -22.69 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.837 . . . . 99.99 110.794 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -93.13 -45.72 7.76 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.053 -1.03 . . . . 99.99 109.1 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 18' ' ' TYR . 49.3 t -56.44 -32.28 35.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.679 -0.638 . . . . 99.99 110.347 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -33.54 16.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 99.99 110.362 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.79 -57.08 3.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.94 . . . . 99.99 110.365 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -30.47 71.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.254 -0.904 . . . . 99.99 110.399 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 52.27 59.64 14.23 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.258 -0.901 . . . . 99.99 110.367 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.66 151.82 64.18 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.594 1.312 . . . . 99.99 110.578 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.87 -36.8 5.7 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.685 1.36 . . . . 99.99 110.22 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.14 115.54 21.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.846 . . . . 99.99 110.103 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -49.34 46.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 99.99 110.148 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -48.59 -60.9 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.303 -0.873 . . . . 99.99 110.084 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.47 -40.22 86.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.596 -0.69 . . . . 99.99 109.705 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -61.13 -48.53 81.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 99.99 109.469 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.4 83.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 99.99 109.885 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -69.74 -28.32 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.297 -0.877 . . . . 99.99 109.656 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -31.55 34.49 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.294 -0.879 . . . . 99.99 109.518 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -78.02 -64.47 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 99.99 110.082 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -50.36 -43.25 54.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.323 -0.861 . . . . 99.99 110.651 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 m -58.61 -42.42 88.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.063 -1.023 . . . . 99.99 109.853 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -30.78 71.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 99.99 109.98 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.85 64.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.329 -0.857 . . . . 99.99 110.05 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.59 72.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.302 -0.874 . . . . 99.99 110.058 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.304 -0.872 . . . . 99.99 110.149 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.98 -0.378 . . . . 99.99 109.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.16 135.12 24.37 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.701 1.369 . . . . 99.99 110.328 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -74.89 -2.22 12.22 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.6 1.316 . . . . 99.99 111.523 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.35 -12.44 83.09 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.738 -1.345 . . . . 99.99 109.738 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -80.27 -35.93 35.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.007 -1.29 . . . . 99.99 110.265 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -54.48 -66.48 0.39 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 99.99 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -27.44 22.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.395 -0.816 . . . . 99.99 110.353 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -61.01 1.96 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -0.946 . . . . 99.99 110.221 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.95 -53.63 53.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.336 -0.853 . . . . 99.99 110.497 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -43.53 34.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.186 -0.946 . . . . 99.99 110.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.67 -51.62 53.72 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.273 -1.531 . . . . 99.99 109.273 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.14 -41.57 65.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -1.119 . . . . 99.99 110.097 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -55.06 -35.56 64.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.842 . . . . 99.99 110.303 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -72.94 -25.01 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 99.99 110.383 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -87.7 -52.66 5.19 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.2 -0.938 . . . . 99.99 109.109 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 79.8 t -47.18 -35.78 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.808 -0.557 . . . . 99.99 110.399 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 69.8 mt -90.13 -23.52 21.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 99.99 110.189 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -87.3 -22.39 25.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.267 -0.895 . . . . 99.99 110.633 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.44 -32.95 10.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 99.99 110.702 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.469 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.2 mm100 53.7 51.57 8.65 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.128 -0.982 . . . . 99.99 110.075 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 45.5 Cg_endo -70.77 155.04 63.37 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.672 1.354 . . . . 99.99 110.621 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -71.55 -35.05 8.52 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.712 1.375 . . . . 99.99 110.144 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -123.62 121.01 34.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.841 . . . . 99.99 109.949 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -44.16 52.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 99.99 110.566 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -49.41 -58.64 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.227 -0.921 . . . . 99.99 110.107 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.71 -38.53 81.9 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.59 -0.693 . . . . 99.99 109.776 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -62.28 -49.74 74.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 99.99 109.44 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.6 79.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.342 -0.849 . . . . 99.99 109.723 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.8 -31.49 50.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.276 -0.89 . . . . 99.99 109.656 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.59 -30.14 36.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.44 -0.787 . . . . 99.99 109.349 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -78.8 -61.57 1.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 99.99 110.397 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -54.11 -50.34 67.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 99.99 110.332 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -50.63 -45.66 57.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.209 -0.932 . . . . 99.99 110.029 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -24.18 66.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.13 -0.981 . . . . 99.99 109.987 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.09 -24.12 62.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.293 -0.879 . . . . 99.99 110.415 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -83.59 -24.19 31.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.217 -0.927 . . . . 99.99 110.199 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.264 -0.897 . . . . 99.99 110.31 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 120.898 0.38 . . . . 99.99 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' C' ' 7' ' ' ALA . 40.4 pt -50.32 -29.78 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.878 -1.139 . . . . 99.99 110.474 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' C' ' 8' ' ' SER . 16.9 tp10 -49.63 -30.4 8.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.349 -0.845 . . . . 99.99 110.935 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.24 -49.15 3.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 99.99 110.312 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.31 65.61 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.253 -0.905 . . . . 99.99 110.416 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.431 ' HB3' ' CG2' ' A' ' 19' ' ' THR . . . -75.78 -29.55 58.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.034 -1.041 . . . . 99.99 109.339 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' C' ' 4' ' ' GLU . 2.8 t -65.97 -37.96 87.33 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 99.99 109.538 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.06 -36.27 81.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 99.99 109.454 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.23 -38.17 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 99.99 109.204 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 16' ' ' GLN . 91.9 t -66.79 -45.99 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 99.99 110.112 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -35.11 69.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 99.99 110.961 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.84 43.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.108 -0.995 . . . . 99.99 110.745 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 55.2 t -81.03 -39.22 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.007 . . . . 99.99 109.517 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.19 -20.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 99.99 109.721 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -87.91 -29.16 21.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.283 -0.885 . . . . 99.99 110.127 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -88.17 -44.04 11.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.326 -0.858 . . . . 99.99 110.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.889 . . . . 99.99 110.215 -179.853 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' C' ' 18' ' ' VAL . 2.2 pp . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 110.301 -0.259 . . . . 99.99 110.301 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.69 129.67 13.84 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.624 1.328 . . . . 99.99 110.383 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.37 159.18 47.2 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 123.465 1.245 . . . . 99.99 110.393 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.86 -15.93 12.35 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.062 -1.215 . . . . 99.99 110.062 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -30.74 70.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.042 -1.269 . . . . 99.99 110.616 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 79.3 m -73.12 -35.86 66.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.207 -0.933 . . . . 99.99 110.721 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -80.84 -23.36 39.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.216 -0.928 . . . . 99.99 110.643 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.83 -42.15 18.2 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.14 -0.975 . . . . 99.99 110.779 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -68.68 -51.22 44.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.201 -0.937 . . . . 99.99 110.938 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 12' ' ' THR . 2.1 mp0 -62.26 -39.69 93.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.072 -1.017 . . . . 99.99 109.616 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.403 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -56.49 -28.71 56.25 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.223 -1.951 . . . . 99.99 108.223 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.414 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 6.6 t80 -82.28 -47.76 12.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.769 -0.842 . . . . 99.99 109.485 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.423 ' CG2' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -55.05 -26.84 40.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.327 -0.858 . . . . 99.99 109.458 179.305 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -77.81 -76.28 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.529 -0.732 . . . . 99.99 110.808 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 9.6 pt-20 -47.34 -44.83 24.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.285 -0.884 . . . . 99.99 111.17 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.2 t -54.57 -51.02 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.918 -1.113 . . . . 99.99 109.755 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.21 -12.53 61.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 99.99 110.402 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -70.04 0.74 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 99.99 110.469 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -27.75 15.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.14 -0.975 . . . . 99.99 110.185 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.16 59.27 16.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.926 . . . . 99.99 110.382 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.75 147.07 49.81 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.703 1.37 . . . . 99.99 110.402 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.3 -21.97 34.86 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 O-C-N 123.698 1.367 . . . . 99.99 110.621 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.58 114.53 18.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.145 -0.972 . . . . 99.99 110.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -75.35 -51.07 14.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -0.82 . . . . 99.99 109.492 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.1 t -52.17 -49.4 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 99.99 109.576 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -66.82 -36.31 82.08 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.758 -0.589 . . . . 99.99 109.965 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 27' ' ' PRO . 91.3 t80 -65.95 -34.69 78.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 99.99 109.725 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -68.26 -37.15 80.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 99.99 109.945 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.4 ' O ' ' HB ' ' A' ' 39' ' ' THR . 78.3 t -70.09 -27.43 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.27 -0.894 . . . . 99.99 110.047 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.52 -34.24 27.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.223 -0.923 . . . . 99.99 110.4 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 87.5 t80 -75.27 -60.47 2.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.132 -0.98 . . . . 99.99 110.17 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -55.13 -43.81 74.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 99.99 110.271 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 23.6 m -61.64 -36.96 82.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.078 -1.014 . . . . 99.99 109.722 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -28.27 68.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.266 -0.896 . . . . 99.99 109.602 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.49 -34.33 67.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 99.99 109.969 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -27.31 56.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 99.99 109.731 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 99.99 109.928 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.437 ' CG2' ' HD2' ' B' ' 8' ' ' PRO . 7.4 mt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 110.369 -0.234 . . . . 99.99 110.369 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' B' ' 7' ' ' ILE . 46.5 Cg_endo -72.72 137.19 26.88 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.65 1.342 . . . . 99.99 110.58 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.61 164.29 34.1 Favored 'Trans proline' 0 C--N 1.312 -1.391 0 O-C-N 123.567 1.298 . . . . 99.99 110.157 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.48 -37.8 3.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.574 -1.41 . . . . 99.99 109.574 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -56.25 -49.29 74.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.268 -1.136 . . . . 99.99 110.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.8 m -60.05 -47.24 86.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.105 -0.997 . . . . 99.99 110.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.73 -30.42 68.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 99.99 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.89 -41.57 74.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.161 -0.962 . . . . 99.99 110.332 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.31 -45.69 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 99.99 110.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -36.92 67.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.194 -0.941 . . . . 99.99 109.752 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.49 -48.35 74.43 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 108.996 -1.641 . . . . 99.99 108.996 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.414 ' O ' ' CG2' ' B' ' 22' ' ' VAL . 41.3 t80 -59.78 -53.46 57.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -1.107 . . . . 99.99 109.83 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.4 ' CG2' ' CG2' ' C' ' 18' ' ' VAL . 85.0 m -51.14 -36.51 41.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.319 -0.863 . . . . 99.99 110.366 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.87 -74.93 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.226 -0.921 . . . . 99.99 110.313 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.412 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 7.4 pt-20 -45.4 -38.9 6.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.385 -0.822 . . . . 99.99 110.977 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' B' ' 18' ' ' TYR . 43.7 t -54.34 -46.42 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 99.99 110.083 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.63 -27.04 66.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.089 -1.007 . . . . 99.99 110.256 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.18 -66.88 0.83 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.892 . . . . 99.99 110.194 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.42 ' O ' ' HD3' ' B' ' 27' ' ' PRO . 0.5 OUTLIER -84.91 55.78 3.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.892 . . . . 99.99 110.387 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -36.13 96.31 0.1 Allowed Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 122.037 -0.414 . . . . 99.99 111.782 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' B' ' 25' ' ' GLN . 49.9 Cg_endo -79.75 169.55 18.04 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.897 1.472 . . . . 99.99 110.384 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.38 -35.68 7.96 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.69 1.363 . . . . 99.99 110.02 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -154.69 118.3 4.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -0.839 . . . . 99.99 110.006 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mp -53.84 -27.6 30.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.881 . . . . 99.99 110.049 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -52.68 -50.7 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.487 -0.758 . . . . 99.99 109.72 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.3 -50.11 29.47 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.579 -0.701 . . . . 99.99 109.917 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -54.88 -53.04 60.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 99.99 109.508 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.34 -39.13 21.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.515 -0.741 . . . . 99.99 110.42 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.4 -32.36 18.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.144 -0.973 . . . . 99.99 109.96 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -25.73 40.09 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 99.99 109.623 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.412 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 65.5 t80 -80.26 -64.2 1.24 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 99.99 110.638 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -54.77 -44.98 74.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.178 -0.951 . . . . 99.99 110.589 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 34.0 m -56.27 -46.49 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.031 -1.043 . . . . 99.99 110.141 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -25.32 65.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.175 -0.953 . . . . 99.99 110.132 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.71 -31.73 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.21 -0.931 . . . . 99.99 110.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -54.37 -27.37 35.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.917 . . . . 99.99 109.95 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 99.99 110.01 179.646 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.184 0.516 . . . . 99.99 110.441 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.91 -56.5 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.05 -1.031 . . . . 99.99 109.949 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.61 -16.89 28.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 99.99 110.167 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -86.31 -49.27 7.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.202 -0.937 . . . . 99.99 109.551 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.13 77.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.244 -0.91 . . . . 99.99 109.419 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 19' ' ' THR . . . -77.8 -21.74 51.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.298 -0.876 . . . . 99.99 109.267 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -40.16 76.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.107 -0.996 . . . . 99.99 108.9 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -36.8 80.04 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.38 -0.825 . . . . 99.99 109.24 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' C' ' 7' ' ' ALA . 5.5 mm -54.19 -44.67 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.364 -0.835 . . . . 99.99 108.886 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.63 -45.04 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.311 -0.868 . . . . 99.99 109.765 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.71 -36.07 81.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 99.99 110.773 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.52 -18.33 41.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 99.99 111.007 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 75.2 t -91.65 -24.42 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.952 -1.092 . . . . 99.99 109.769 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.3 -24.12 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.292 -0.88 . . . . 99.99 109.43 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -72.46 -20.37 61.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 99.99 110.409 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.94 -31.43 6.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 99.99 110.804 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.408 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 42.0 t . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.067 -1.021 . . . . 99.99 110.761 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.573 -0.528 . . . . 99.99 109.573 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.24 112.78 3.41 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.583 1.307 . . . . 99.99 110.811 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -80.28 178.06 7.53 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.535 1.281 . . . . 99.99 110.137 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.48 9.39 11.51 Favored Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.867 -1.158 . . . . 99.99 110.372 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.78 0.86 57.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.942 -1.329 . . . . 99.99 110.685 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m -80.38 -68.6 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.008 -1.057 . . . . 99.99 110.555 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -26.52 10.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -0.83 . . . . 99.99 110.449 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.7 mt -75.68 -37.08 59.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.873 . . . . 99.99 110.354 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.83 -55.91 4.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 99.99 110.513 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -47.26 55.84 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 99.99 110.094 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -56.56 -50.55 62.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.864 -1.695 . . . . 99.99 108.864 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.413 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 12.5 t80 -53.03 -43.95 66.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.476 -1.014 . . . . 99.99 109.806 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.431 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -58.59 -33.27 69.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 99.99 110.282 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.39 -27.0 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 99.99 110.878 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 1.8 mt-10 -77.32 -52.68 8.77 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.904 -1.123 . . . . 99.99 109.002 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.5 -34.38 50.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.764 -0.585 . . . . 99.99 110.265 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -73.04 -36.12 66.87 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 99.99 110.522 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.37 -50.17 8.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.17 -0.956 . . . . 99.99 110.349 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -41.04 72.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 99.99 110.346 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 52.31 63.86 8.35 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.361 -0.837 . . . . 99.99 110.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.45 159.69 50.72 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.749 1.394 . . . . 99.99 110.613 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.97 -23.92 24.73 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.704 1.371 . . . . 99.99 110.352 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -141.22 114.95 9.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.925 . . . . 99.99 110.141 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.18 -31.53 71.14 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -0.908 . . . . 99.99 110.155 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.97 -60.85 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.136 -0.978 . . . . 99.99 109.865 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.53 -43.57 93.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.649 -0.657 . . . . 99.99 109.964 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 99.99 109.928 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.48 -41.32 80.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 99.99 109.555 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.1 t -75.88 -36.63 32.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.384 -0.822 . . . . 99.99 109.819 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.11 64.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.23 -0.919 . . . . 99.99 109.657 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -73.15 -64.26 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 99.99 109.959 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.97 -51.72 55.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.236 -0.915 . . . . 99.99 110.293 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -54.59 -36.58 64.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.168 -0.957 . . . . 99.99 109.783 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -70.76 -33.37 70.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 99.99 109.691 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -23.97 67.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.361 -0.837 . . . . 99.99 109.957 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -66.54 -38.55 87.4 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.408 -0.808 . . . . 99.99 109.715 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.837 . . . . 99.99 110.049 179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 110.202 -0.296 . . . . 99.99 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.11 115.44 4.32 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.525 1.276 . . . . 99.99 110.397 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.06 179.15 6.03 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 O-C-N 123.454 1.239 . . . . 99.99 110.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.98 -27.32 16.92 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.662 -1.375 . . . . 99.99 109.662 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.08 68.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -1.147 . . . . 99.99 110.249 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.6 m -71.56 -33.17 68.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 99.99 110.212 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.74 -63.39 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.949 . . . . 99.99 110.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.25 -29.64 15.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 99.99 110.379 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -53.38 11.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.9 . . . . 99.99 110.44 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -49.14 50.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.038 -1.039 . . . . 99.99 110.263 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.1 -47.52 66.81 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.137 -1.585 . . . . 99.99 109.137 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.426 ' O ' ' CG2' ' B' ' 22' ' ' VAL . 9.3 t80 -55.23 -53.48 55.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 99.99 109.69 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -47.73 -43.37 26.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.85 . . . . 99.99 110.53 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.57 -74.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.368 -0.833 . . . . 99.99 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 10.7 pt-20 -45.53 -39.52 7.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.458 -0.776 . . . . 99.99 111.149 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' B' ' 18' ' ' TYR . 63.6 t -52.93 -37.79 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.924 -1.11 . . . . 99.99 109.809 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' C' ' 18' ' ' VAL . 5.1 mt -84.0 -50.76 7.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 99.99 110.155 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -65.18 0.71 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 99.99 110.229 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -54.48 -36.11 63.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.249 -0.907 . . . . 99.99 110.339 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.406 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.0 tt0 51.92 55.57 15.36 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.937 . . . . 99.99 110.168 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 43.9 Cg_endo -69.97 153.79 67.6 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.698 1.367 . . . . 99.99 110.624 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.8 -37.99 6.04 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.727 1.382 . . . . 99.99 110.413 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -116.58 117.02 28.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.282 -0.886 . . . . 99.99 110.296 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.425 ' CD1' ' OH ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -72.01 -41.44 67.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 99.99 109.66 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.26 -64.85 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 99.99 109.693 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -33.99 61.07 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.563 -0.711 . . . . 99.99 109.795 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.4 -45.99 85.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 99.99 109.515 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.74 -37.36 50.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.416 -0.802 . . . . 99.99 110.245 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.95 -53.48 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.292 -0.88 . . . . 99.99 110.439 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.44 -49.78 54.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 99.99 110.909 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -59.79 -71.36 0.13 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.095 -1.003 . . . . 99.99 110.512 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.28 -48.21 46.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.298 -0.876 . . . . 99.99 110.827 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.3 m -51.57 -41.6 61.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.063 -1.023 . . . . 99.99 110.055 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.54 -33.43 75.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.179 -0.95 . . . . 99.99 109.897 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.15 -24.6 37.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 99.99 110.051 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -30.59 68.8 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 99.99 109.233 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 C--N 1.304 -1.411 0 O-C-N 121.399 -0.813 . . . . 99.99 109.48 179.723 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.247 0.546 . . . . 99.99 110.392 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 30.1 mt -62.69 -42.92 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.235 -0.916 . . . . 99.99 110.202 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.57 -13.19 58.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 99.99 110.336 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.88 -47.59 8.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -1.0 . . . . 99.99 109.986 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.06 -28.26 57.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 99.99 109.996 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.431 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -76.58 -35.96 57.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.118 -0.989 . . . . 99.99 109.77 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 20.6 p -69.25 -29.48 67.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 99.99 109.636 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -38.76 32.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.329 -0.857 . . . . 99.99 109.874 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -34.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 99.99 109.222 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 94.9 t -72.32 -44.34 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 99.99 110.031 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.43 -28.6 20.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.419 -0.801 . . . . 99.99 110.965 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.87 -44.29 18.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.086 -1.009 . . . . 99.99 110.333 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.11 -33.84 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 99.99 109.625 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 33.5 mm -70.09 -39.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.379 -0.826 . . . . 99.99 109.717 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.37 -25.76 65.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.274 -0.891 . . . . 99.99 110.103 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -78.93 -36.57 41.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.194 -0.941 . . . . 99.99 109.971 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' B' ' 23' ' ' LEU . 52.9 t . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.931 . . . . 99.99 110.586 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.961 -0.385 . . . . 99.99 109.961 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.53 122.81 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.465 1.245 . . . . 99.99 110.801 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.25 176.59 9.4 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 123.495 1.26 . . . . 99.99 110.367 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.05 -30.97 5.85 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.716 -1.353 . . . . 99.99 109.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' HG ' ' CD1' ' A' ' 15' ' ' LEU . 19.5 tp -61.97 -17.87 58.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.271 -1.135 . . . . 99.99 110.458 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 m -71.81 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.165 -0.959 . . . . 99.99 110.53 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -27.51 68.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.356 -0.84 . . . . 99.99 110.711 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.31 -55.61 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.106 -0.996 . . . . 99.99 110.485 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 54.5 mt -61.13 -43.18 99.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.2 -0.937 . . . . 99.99 110.49 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 99.99 110.044 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.52 -48.78 68.33 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.056 -1.617 . . . . 99.99 109.056 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -55.85 -34.97 65.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -1.082 . . . . 99.99 109.659 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.42 ' CG2' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.35 -30.7 67.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.39 -0.818 . . . . 99.99 109.936 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.7 t -75.7 -20.26 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 99.99 110.433 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.61 -58.65 2.06 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.171 -0.956 . . . . 99.99 109.349 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -50.63 -29.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.626 -0.671 . . . . 99.99 110.36 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -90.21 -38.73 13.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 99.99 110.334 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.69 -51.51 11.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 99.99 110.507 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -73.34 -28.42 62.05 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.183 -0.948 . . . . 99.99 110.066 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.5 58.23 16.28 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 99.99 110.166 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.17 149.31 64.12 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.695 1.366 . . . . 99.99 110.674 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.32 -23.35 24.17 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.778 1.409 . . . . 99.99 110.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 5.4 p-10 -127.37 125.36 40.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 99.99 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -51.01 5.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 99.99 110.216 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -48.86 -63.36 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.362 -0.837 . . . . 99.99 110.214 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -57.94 -34.5 69.95 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.456 -0.777 . . . . 99.99 109.975 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 51.6 t80 -68.32 -43.91 76.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 99.99 109.582 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.65 -30.92 65.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 99.99 109.732 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.3 t -70.74 -50.68 42.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.316 -0.865 . . . . 99.99 109.975 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.9 -39.69 74.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -0.854 . . . . 99.99 110.561 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -68.5 -68.07 0.42 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.239 -0.913 . . . . 99.99 110.666 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.11 -48.95 64.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 99.99 110.695 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.8 m -50.73 -38.73 49.11 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 99.99 110.328 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -36.93 56.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 99.99 109.943 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.66 61.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 99.99 109.688 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -36.63 77.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.32 -0.863 . . . . 99.99 109.724 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.444 -0.785 . . . . 99.99 110.057 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 110.113 -0.328 . . . . 99.99 110.113 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.79 116.32 4.51 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.506 1.266 . . . . 99.99 110.259 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.01 -177.34 2.23 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 O-C-N 123.486 1.256 . . . . 99.99 110.605 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.78 -24.82 24.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.453 -1.459 . . . . 99.99 109.453 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.06 -44.78 68.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -1.137 . . . . 99.99 110.151 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -57.58 -41.44 81.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 99.99 110.527 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.41 -51.49 51.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.227 -0.921 . . . . 99.99 110.643 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.4 -42.19 81.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.898 . . . . 99.99 110.818 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.1 -37.57 78.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.067 -1.021 . . . . 99.99 110.639 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -53.89 51.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.13 -0.981 . . . . 99.99 110.162 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.28 95.65 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.246 -1.542 . . . . 99.99 109.246 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.08 -50.64 65.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.324 -1.104 . . . . 99.99 109.98 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 45.4 m -51.68 -33.65 34.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 99.99 110.123 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 42.1 t -65.77 -70.81 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 99.99 110.044 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' B' ' 37' ' ' TYR . 9.9 pt-20 -45.25 -38.3 5.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 99.99 111.002 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' B' ' 21' ' ' GLU . 42.2 t -54.95 -43.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.048 -1.032 . . . . 99.99 109.624 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' C' ' 18' ' ' VAL . 7.3 mt -75.57 -40.29 56.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 99.99 110.066 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -43.06 96.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 99.99 110.233 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.422 ' O ' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -114.06 60.94 0.66 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 99.99 110.264 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -38.05 96.13 0.11 Allowed Pre-proline 0 N--CA 1.502 2.151 0 O-C-N 121.948 -0.47 . . . . 99.99 111.436 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' B' ' 25' ' ' GLN . 49.8 Cg_endo -87.74 157.88 7.58 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.978 1.515 . . . . 99.99 110.517 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.96 -39.78 3.94 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.599 1.315 . . . . 99.99 110.038 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.97 119.82 23.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.867 . . . . 99.99 109.91 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -26.28 59.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 99.99 110.352 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.17 -60.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.156 -0.965 . . . . 99.99 109.831 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.1 -45.21 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.631 -0.668 . . . . 99.99 110.254 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.51 -50.23 73.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.236 -0.915 . . . . 99.99 109.697 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.94 -36.21 26.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.342 -0.849 . . . . 99.99 110.354 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -71.73 -45.73 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.187 -0.946 . . . . 99.99 110.169 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.66 -38.61 85.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 99.99 110.61 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.468 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 52.5 t80 -70.27 -69.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.186 -0.947 . . . . 99.99 110.416 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -49.1 -45.27 43.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.257 -0.902 . . . . 99.99 110.673 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -57.92 -41.79 83.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 99.99 110.033 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.88 44.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 99.99 110.197 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 tp -70.47 -21.69 62.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 99.99 110.305 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.51 47.93 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.166 -0.959 . . . . 99.99 109.954 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 99.99 110.632 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.086 0.47 . . . . 99.99 110.563 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 mt -72.19 -42.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.029 -1.045 . . . . 99.99 110.182 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.92 -20.53 16.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.933 . . . . 99.99 110.172 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -94.28 -47.33 6.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 99.99 109.732 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.71 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.314 -0.866 . . . . 99.99 109.839 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.42 ' HB1' ' CG2' ' A' ' 19' ' ' THR . . . -75.49 -31.56 60.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.966 . . . . 99.99 109.305 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 45.6 t -64.88 -28.45 69.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 99.99 109.945 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -78.6 -39.91 36.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.99 . . . . 99.99 110.281 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -33.44 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 99.99 109.501 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . 0.435 ' O ' ' CG2' ' C' ' 15' ' ' ILE . 85.7 t -72.48 -43.62 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.56 -0.712 . . . . 99.99 109.982 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -52.74 -34.91 54.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 99.99 111.177 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.21 35.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 99.99 110.718 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.37 -34.44 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 99.99 110.006 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' C' ' 11' ' ' VAL . 2.6 tp -76.9 -21.08 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 99.99 110.14 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.26 -20.45 59.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 99.99 110.282 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -102.85 -20.52 14.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 99.99 110.611 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' B' ' 23' ' ' LEU . 5.1 p . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 99.99 110.192 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.589 -0.523 . . . . 99.99 109.589 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.28 111.75 2.99 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.601 1.316 . . . . 99.99 110.94 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.51 -163.02 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.296 0 O-C-N 123.689 1.363 . . . . 99.99 110.266 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.82 -39.91 2.98 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.75 -1.34 . . . . 99.99 109.75 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 tp -54.23 -25.98 26.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -1.206 . . . . 99.99 110.177 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -56.68 -62.74 1.52 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.217 -0.927 . . . . 99.99 110.192 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.17 -47.38 81.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.912 . . . . 99.99 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -39.64 70.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 99.99 110.371 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mp -73.95 -56.11 5.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 99.99 110.493 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -43.81 66.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 99.99 109.989 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.47 78.52 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.85 -1.7 . . . . 99.99 108.85 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.413 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 8.6 t80 -67.26 -49.18 65.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.555 -0.968 . . . . 99.99 109.783 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -51.85 -34.99 43.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 99.99 110.105 179.574 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -70.34 -74.48 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.387 -0.821 . . . . 99.99 110.579 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -43.96 -44.14 7.01 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.546 -0.721 . . . . 99.99 111.52 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 18' ' ' TYR . 97.7 t -53.85 -46.04 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.936 -1.103 . . . . 99.99 110.194 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -17.48 49.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.242 -0.911 . . . . 99.99 110.459 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -88.7 -59.05 2.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 99.99 110.622 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.33 -28.17 61.92 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.19 -0.944 . . . . 99.99 110.146 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 51.65 68.87 2.86 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 99.99 110.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.41 164.7 34.84 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.699 1.368 . . . . 99.99 110.872 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.47 -39.4 5.19 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.804 1.423 . . . . 99.99 110.355 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -134.8 129.09 34.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 99.99 110.13 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.1 -40.3 65.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 99.99 110.153 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -50.65 -63.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 99.99 110.06 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.54 -35.16 73.67 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.497 -0.752 . . . . 99.99 110.134 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.18 -46.82 76.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.205 -0.934 . . . . 99.99 109.58 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.07 -37.68 61.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.804 . . . . 99.99 110.24 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -69.38 -51.27 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 99.99 110.198 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.9 -44.65 82.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 99.99 110.733 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -62.86 -58.37 7.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.169 -0.957 . . . . 99.99 110.886 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -64.78 -43.88 91.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.184 -0.948 . . . . 99.99 110.973 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.7 m -56.37 -24.96 47.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.98 -1.075 . . . . 99.99 110.319 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.81 26.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 99.99 110.525 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -26.84 59.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.209 -0.932 . . . . 99.99 110.257 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -71.15 -25.42 62.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.189 -0.944 . . . . 99.99 109.434 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 99.99 110.062 179.761 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.331 -0.618 . . . . 99.99 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.79 125.08 12.18 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.626 1.329 . . . . 99.99 110.565 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.78 169.98 21.1 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.494 1.26 . . . . 99.99 110.365 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.86 -24.41 26.49 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.672 -1.371 . . . . 99.99 109.672 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.02 -35.45 76.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -1.155 . . . . 99.99 110.195 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -71.74 -34.01 69.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 99.99 110.132 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -65.25 -61.07 2.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 99.99 110.051 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.3 -40.19 58.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 99.99 110.226 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -49.06 78.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 99.99 110.191 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CA ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -49.42 -35.6 19.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.167 -0.958 . . . . 99.99 110.111 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.64 99.49 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.706 -1.758 . . . . 99.99 108.706 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' B' ' 22' ' ' VAL . 9.2 t80 -68.46 -54.33 17.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.42 -1.047 . . . . 99.99 109.971 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 38.0 m -47.97 -33.26 7.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.365 -0.834 . . . . 99.99 110.257 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.16 -72.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 99.99 109.726 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.59 -41.05 29.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.239 -0.913 . . . . 99.99 110.624 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' B' ' 18' ' ' TYR . 64.0 t -56.29 -44.41 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 99.99 109.838 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.35 -30.07 33.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.359 -0.838 . . . . 99.99 110.16 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -61.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 99.99 110.167 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.12 -28.44 61.35 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.34 -0.85 . . . . 99.99 109.696 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 50.53 62.71 11.17 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 99.99 110.45 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.68 162.71 41.56 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.806 1.424 . . . . 99.99 110.61 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.88 -28.61 16.3 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.598 1.315 . . . . 99.99 110.681 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 33.0 p-10 -138.06 138.37 38.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 99.99 110.715 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -89.99 -33.32 16.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.258 -0.902 . . . . 99.99 109.946 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 t -52.6 -63.64 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.457 -0.777 . . . . 99.99 109.976 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.4 -42.66 99.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.402 -0.811 . . . . 99.99 109.931 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -59.35 -53.67 55.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 99.99 109.646 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.406 ' HB2' ' CZ ' ' B' ' 18' ' ' TYR . . . -50.94 -40.69 57.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.394 -0.816 . . . . 99.99 110.354 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.91 -47.4 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.936 . . . . 99.99 110.062 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.02 -31.17 72.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 99.99 110.146 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -74.39 -58.75 3.09 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.931 . . . . 99.99 110.023 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.39 -50.22 73.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 99.99 110.48 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.5 m -49.52 -44.95 46.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.163 -0.961 . . . . 99.99 110.507 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -64.61 -26.5 68.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.167 -0.958 . . . . 99.99 110.032 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -38.02 80.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.219 -0.925 . . . . 99.99 110.224 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -18.42 59.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 99.99 110.502 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 99.99 110.392 -179.86 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.822 0.344 . . . . 99.99 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mt -57.57 -39.65 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.82 -1.175 . . . . 99.99 109.787 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.54 -20.67 21.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.376 -0.828 . . . . 99.99 110.236 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -94.76 -46.77 6.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 99.99 110.044 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -30.35 68.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.206 -0.934 . . . . 99.99 109.946 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -75.84 -21.38 57.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 99.99 109.82 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -42.07 49.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 99.99 109.913 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -67.52 -39.44 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.93 . . . . 99.99 110.068 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.1 OUTLIER -56.11 -45.32 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 99.99 109.403 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . 0.438 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 67.2 t -62.65 -28.43 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.157 -0.965 . . . . 99.99 109.973 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.97 -33.8 76.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 99.99 110.437 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . 0.412 ' O ' ' NE2' ' C' ' 17' ' ' GLN . . . -71.68 -40.54 69.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 99.99 110.437 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 38.9 t -67.44 -36.9 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.958 . . . . 99.99 109.959 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 51.9 mt -65.82 -29.47 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 99.99 109.907 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.02 -40.85 78.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.888 . . . . 99.99 110.192 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' C' ' 13' ' ' ALA . 0.0 OUTLIER -62.53 -49.06 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 99.99 110.227 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 99.99 110.219 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.462 -0.57 . . . . 99.99 109.462 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.28 128.63 13.97 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.532 1.28 . . . . 99.99 110.701 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -79.14 168.83 19.94 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.578 1.304 . . . . 99.99 110.374 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.35 -18.98 46.97 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.091 -1.203 . . . . 99.99 110.091 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -53.84 -32.78 54.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -1.21 . . . . 99.99 110.463 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.3 m -53.41 -57.56 10.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 99.99 110.292 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.31 -26.14 62.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 99.99 110.337 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.06 -55.94 5.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 99.99 110.332 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.27 -58.09 3.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 99.99 110.465 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -45.71 60.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.147 -0.971 . . . . 99.99 110.213 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.83 -38.75 65.49 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.814 -1.715 . . . . 99.99 108.814 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.434 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 10.5 t80 -63.86 -26.55 68.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -1.056 . . . . 99.99 109.506 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.453 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -77.56 -28.9 51.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.478 -0.764 . . . . 99.99 110.046 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.1 t -78.3 -22.08 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.837 . . . . 99.99 110.697 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -91.63 -53.31 4.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.096 -1.002 . . . . 99.99 109.341 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.12 -40.25 29.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.488 -0.757 . . . . 99.99 110.368 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -38.16 46.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.969 . . . . 99.99 110.042 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.24 -23.43 63.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.16 -0.962 . . . . 99.99 110.209 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 1.5 pt20 -142.41 66.06 1.34 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 99.99 110.343 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.76 98.09 0.15 Allowed Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.983 -0.448 . . . . 99.99 111.543 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 25' ' ' GLN . 47.5 Cg_endo -75.19 164.69 32.53 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.936 1.493 . . . . 99.99 110.442 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.17 -29.4 17.51 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.789 1.415 . . . . 99.99 110.354 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -148.67 123.9 10.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.912 . . . . 99.99 110.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.16 -39.45 82.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 99.99 109.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.3 t -52.52 -61.58 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.251 -0.906 . . . . 99.99 109.959 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -61.77 -35.53 78.4 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 99.99 110.15 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 90.3 t80 -68.28 -37.13 80.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.218 -0.926 . . . . 99.99 109.744 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.31 74.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.308 -0.87 . . . . 99.99 110.073 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.69 -50.97 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 O-C-N 121.238 -0.914 . . . . 99.99 110.339 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -37.13 65.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.831 . . . . 99.99 110.519 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -74.8 -63.39 1.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.174 -0.954 . . . . 99.99 110.465 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.408 ' HB3' ' CG2' ' B' ' 35' ' ' VAL . 3.4 m-85 -54.8 -43.06 72.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 99.99 110.544 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.1 m -59.54 -38.76 81.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.996 -1.065 . . . . 99.99 109.758 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.46 -27.54 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 99.99 109.838 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -33.17 72.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 99.99 109.889 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' CD ' ' OD1' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -68.13 -30.06 69.12 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.263 -0.898 . . . . 99.99 109.682 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 99.99 109.908 179.725 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.326 -0.25 . . . . 99.99 110.326 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.4 142.67 37.43 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.589 1.31 . . . . 99.99 110.516 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.7 152.14 47.36 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.683 1.359 . . . . 99.99 110.345 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.15 -31.14 6.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.524 -1.43 . . . . 99.99 109.524 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.52 -37.14 62.52 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -1.176 . . . . 99.99 110.135 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -62.29 -51.07 69.15 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -0.914 . . . . 99.99 110.016 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.57 -43.19 97.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.381 -0.824 . . . . 99.99 109.962 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.57 -52.78 62.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 99.99 110.038 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.15 -40.8 94.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.242 -0.911 . . . . 99.99 110.067 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -43.76 67.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 99.99 109.957 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.65 -55.77 28.19 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.245 -1.542 . . . . 99.99 109.245 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' B' ' 22' ' ' VAL . 25.2 t80 -54.93 -43.02 72.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -1.167 . . . . 99.99 110.28 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 13.8 m -57.59 -52.34 65.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.87 . . . . 99.99 110.619 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.72 -23.99 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.188 -0.945 . . . . 99.99 110.356 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.83 -44.3 10.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.091 -1.006 . . . . 99.99 108.98 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' B' ' 18' ' ' TYR . 45.5 t -53.44 -24.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.782 -0.574 . . . . 99.99 110.19 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.77 -49.65 6.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 99.99 110.119 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -71.01 0.14 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.891 . . . . 99.99 110.442 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.168 -0.958 . . . . 99.99 110.681 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 54.28 63.25 7.68 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.119 -0.988 . . . . 99.99 109.729 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.66 159.36 51.19 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.592 1.312 . . . . 99.99 110.662 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.19 -26.64 20.89 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.818 1.43 . . . . 99.99 110.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -147.95 144.28 27.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 99.99 110.198 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 34' ' ' ALA . 0.8 OUTLIER -89.03 -23.76 22.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.254 -0.904 . . . . 99.99 110.287 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.8 t -53.7 -64.06 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.184 -0.947 . . . . 99.99 110.015 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 42' ' ' ARG . 7.8 t0 -64.33 -48.2 76.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.506 -0.746 . . . . 99.99 109.841 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.418 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 29.4 t80 -54.67 -52.04 63.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 99.99 109.778 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' B' ' 30' ' ' LEU . . . -50.22 -44.26 53.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.396 -0.815 . . . . 99.99 110.486 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 38' ' ' PHE . 97.0 t -62.78 -38.48 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 121.129 -0.982 . . . . 99.99 110.075 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -71.06 -29.63 65.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 99.99 110.341 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -73.28 -71.33 0.31 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 99.99 110.457 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -50.13 -50.09 49.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 99.99 110.611 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -51.67 -35.14 41.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.09 -1.007 . . . . 99.99 109.956 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.91 -43.49 68.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 99.99 109.952 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -39.14 71.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.295 -0.878 . . . . 99.99 110.083 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.424 ' NH2' ' O ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.02 -51.27 62.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.888 . . . . 99.99 110.169 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.167 -0.958 . . . . 99.99 110.012 179.798 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.297 0.57 . . . . 99.99 110.169 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.97 -54.98 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -0.949 . . . . 99.99 110.072 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -13.09 58.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 99.99 110.418 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -96.46 -42.31 8.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.964 . . . . 99.99 109.734 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . 0.425 ' O ' ' CD1' ' C' ' 10' ' ' ILE . . . -70.35 -33.14 71.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 99.99 109.582 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.453 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -75.11 -24.49 58.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.945 . . . . 99.99 109.42 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -38.51 78.74 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.379 -0.826 . . . . 99.99 109.798 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -69.46 -36.79 76.93 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.153 -0.967 . . . . 99.99 109.668 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' C' ' 6' ' ' ALA . 1.2 mp -53.61 -44.8 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.281 -0.887 . . . . 99.99 108.75 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' C' ' 15' ' ' ILE . 98.7 t -59.37 -49.81 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.397 -0.814 . . . . 99.99 109.763 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.54 -31.71 71.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 99.99 110.784 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.01 -21.92 25.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 99.99 110.722 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.58 -27.08 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.025 -1.047 . . . . 99.99 109.635 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . 0.429 ' CG1' ' O ' ' C' ' 11' ' ' VAL . 2.0 pp -85.66 -24.91 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.295 -0.878 . . . . 99.99 109.762 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.97 -34.99 75.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 99.99 109.838 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.45 -41.13 18.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.322 -0.861 . . . . 99.99 109.916 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 99.99 110.058 179.771 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.807 -0.442 . . . . 99.99 109.807 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.03 112.94 3.68 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.476 1.251 . . . . 99.99 110.752 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -82.35 173.66 10.53 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.549 1.289 . . . . 99.99 110.231 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.68 7.97 61.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.265 -1.134 . . . . 99.99 110.265 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.61 -34.08 25.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.902 -1.352 . . . . 99.99 109.946 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.5 m -53.92 -67.81 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -0.851 . . . . 99.99 110.498 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.01 -36.02 37.2 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 99.99 110.668 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.14 -55.55 10.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.086 -1.009 . . . . 99.99 110.421 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.0 -53.05 62.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 99.99 110.453 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -28.3 13.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 99.99 110.191 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.37 -49.22 66.86 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.203 -1.559 . . . . 99.99 109.203 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.435 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 12.3 t80 -58.43 -49.64 76.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -1.095 . . . . 99.99 109.809 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.414 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -48.11 -39.37 20.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.331 -0.855 . . . . 99.99 110.447 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.27 -77.26 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 99.99 110.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.48 -44.79 17.87 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.425 -0.797 . . . . 99.99 111.157 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 18' ' ' TYR . 65.3 t -53.2 -35.29 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 99.99 109.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.61 -25.91 28.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 99.99 110.083 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -60.1 2.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.83 . . . . 99.99 110.214 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.1 -31.69 63.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 99.99 110.166 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 50.41 58.68 17.07 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.264 -0.897 . . . . 99.99 110.337 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -71.55 156.47 57.86 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.717 1.377 . . . . 99.99 110.438 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.46 -14.51 30.83 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.652 1.343 . . . . 99.99 110.577 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.73 123.82 4.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 99.99 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mp -72.97 -29.42 63.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.216 -0.927 . . . . 99.99 109.992 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.447 ' CG1' ' CD ' ' B' ' 42' ' ' ARG . 20.0 t -56.18 -60.26 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.458 -0.776 . . . . 99.99 109.47 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.77 -44.28 86.28 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.476 -0.765 . . . . 99.99 109.532 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 31.5 t80 -57.69 -49.84 75.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.446 -0.784 . . . . 99.99 109.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.01 -38.73 62.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 99.99 109.963 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.27 -48.51 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.364 -0.835 . . . . 99.99 110.1 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.27 -24.35 67.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.193 -0.942 . . . . 99.99 110.533 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.2 -67.93 0.71 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.147 -0.97 . . . . 99.99 110.218 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -55.43 -47.41 76.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 99.99 110.474 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -53.22 -50.18 65.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.989 . . . . 99.99 110.212 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -64.57 -20.24 66.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.243 -0.911 . . . . 99.99 110.069 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.24 -47.79 80.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 99.99 109.996 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.77 -27.85 2.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.329 -0.857 . . . . 99.99 110.893 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.2 -0.937 . . . . 99.99 110.355 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.436 ' CG2' ' HD2' ' B' ' 8' ' ' PRO . 42.5 mm . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.942 -0.392 . . . . 99.99 109.942 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.436 ' HD2' ' CG2' ' B' ' 7' ' ' ILE . 44.5 Cg_endo -71.25 111.38 3.07 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.534 1.281 . . . . 99.99 110.441 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.21 179.41 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.54 1.284 . . . . 99.99 110.352 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.42 3.45 71.27 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.075 -1.21 . . . . 99.99 110.075 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.7 tp -87.64 -36.44 17.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.877 -1.366 . . . . 99.99 110.135 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 86.5 m -67.03 -35.57 80.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.231 -0.918 . . . . 99.99 110.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.05 -56.11 11.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 99.99 110.395 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -43.55 77.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 99.99 110.292 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.62 -42.03 92.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.884 . . . . 99.99 110.41 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.66 -36.92 57.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.925 -1.11 . . . . 99.99 109.754 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.53 -53.16 47.78 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.813 -1.715 . . . . 99.99 108.813 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.6 -40.2 86.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -1.097 . . . . 99.99 110.243 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.1 m -49.31 -62.93 1.27 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.224 -0.922 . . . . 99.99 109.544 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.94 -42.4 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.393 -0.966 . . . . 99.99 108.393 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' B' ' 37' ' ' TYR . 1.2 tt0 -51.56 -64.87 0.67 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.572 0.701 . . . . 99.99 110.862 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.09 -27.97 2.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.62 -0.675 . . . . 99.99 110.844 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' C' ' 18' ' ' VAL . 21.1 mt -84.6 -52.67 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.108 -0.995 . . . . 99.99 110.38 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -41.6 84.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 99.99 110.503 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.81 -36.72 19.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 99.99 110.316 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.4 tt0 51.96 54.47 14.26 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 99.99 110.124 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 49.5 Cg_endo -74.39 150.69 41.73 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.761 1.401 . . . . 99.99 110.597 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.81 -32.72 13.73 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.739 1.389 . . . . 99.99 110.329 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -116.56 120.44 38.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 99.99 110.131 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.49 -41.04 18.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 99.99 110.365 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.19 -66.05 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.242 -0.911 . . . . 99.99 109.906 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -38.17 71.09 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.396 -0.815 . . . . 99.99 109.702 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -62.76 -50.86 69.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.364 -0.835 . . . . 99.99 109.669 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.76 -37.77 68.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.321 -0.862 . . . . 99.99 110.09 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.38 -43.47 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.358 -0.839 . . . . 99.99 110.25 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.74 -32.85 73.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 99.99 110.673 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 41.1 t80 -75.71 -67.15 0.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.123 -0.985 . . . . 99.99 110.704 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.24 -48.41 62.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.167 -0.958 . . . . 99.99 110.413 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -52.38 -50.33 62.65 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.256 -0.902 . . . . 99.99 110.247 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -63.01 -31.2 72.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 99.99 110.214 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -42.72 67.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 99.99 109.939 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.447 ' CD ' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -52.0 -37.49 53.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.892 . . . . 99.99 110.366 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 99.99 110.303 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.19 0.519 . . . . 99.99 110.374 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -74.43 -36.06 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 99.99 110.232 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -15.0 62.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.199 -0.938 . . . . 99.99 110.558 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.75 -41.89 7.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 99.99 109.996 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.05 63.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.28 -0.888 . . . . 99.99 109.788 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -78.53 -20.0 51.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 99.99 109.652 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -35.63 48.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 99.99 110.069 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -82.75 -43.57 16.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 99.99 110.08 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 12.3 tt -53.29 -42.05 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.1 -1.0 . . . . 99.99 109.603 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 87.8 t -64.82 -44.62 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 99.99 109.324 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.54 -42.81 44.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 99.99 110.381 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.4 91.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.246 -0.908 . . . . 99.99 110.108 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 40.9 t -71.72 -39.21 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 99.99 109.877 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' C' ' 15' ' ' ILE . 1.6 mp -75.49 -21.71 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.123 -0.985 . . . . 99.99 109.476 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 99.99 110.022 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -37.88 62.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 99.99 110.17 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.419 ' HA ' ' CD1' ' B' ' 23' ' ' LEU . 95.2 t . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.373 -0.83 . . . . 99.99 110.076 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.386 -0.227 . . . . 99.99 110.386 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -76.15 122.78 6.83 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.539 1.284 . . . . 99.99 110.089 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.03 169.85 19.52 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.392 1.206 . . . . 99.99 110.321 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.04 -26.89 9.51 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.684 -1.367 . . . . 99.99 109.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -37.17 79.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -1.163 . . . . 99.99 110.387 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.1 m -56.31 -55.79 29.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.24 -0.913 . . . . 99.99 110.2 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -47.31 64.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.302 -0.874 . . . . 99.99 110.216 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.12 -50.54 72.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 99.99 110.126 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.16 -51.15 68.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 99.99 109.994 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.13 -41.91 60.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.246 -0.909 . . . . 99.99 110.188 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.04 -52.66 51.05 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.083 -1.607 . . . . 99.99 109.083 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -55.1 -25.36 30.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -1.113 . . . . 99.99 110.059 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.483 ' CG2' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.9 -38.36 73.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 99.99 110.349 -179.829 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 59.4 t -73.91 -17.95 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.12 -0.988 . . . . 99.99 110.602 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 1.2 mt-10 -89.88 -49.12 6.8 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.032 -1.043 . . . . 99.99 108.927 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.3 t -51.97 -33.5 16.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.597 -0.689 . . . . 99.99 110.109 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -44.42 11.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -0.901 . . . . 99.99 110.161 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -61.96 -55.49 28.86 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.196 -0.94 . . . . 99.99 110.153 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.44 -34.03 65.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.288 -0.882 . . . . 99.99 110.095 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.409 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 52.2 55.52 14.98 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 99.99 110.182 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 26' ' ' GLN . 44.8 Cg_endo -71.17 152.38 61.86 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.709 1.373 . . . . 99.99 110.446 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.35 -24.14 23.17 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.754 1.397 . . . . 99.99 110.337 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -128.94 122.05 29.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 99.99 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.84 -37.01 30.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.263 -0.898 . . . . 99.99 109.884 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -53.56 -64.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.335 -0.853 . . . . 99.99 109.762 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.5 -38.12 71.32 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.504 -0.747 . . . . 99.99 109.946 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.52 -48.79 76.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 99.99 109.947 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.14 -30.72 64.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.391 -0.818 . . . . 99.99 110.092 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.2 t -74.78 -36.67 40.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.242 -0.912 . . . . 99.99 110.39 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.48 -31.68 62.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.205 -0.934 . . . . 99.99 110.538 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 24.2 t80 -75.68 -66.71 0.75 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 99.99 110.51 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.54 -47.75 48.83 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.25 -0.906 . . . . 99.99 110.545 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.8 m -53.47 -42.44 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.078 -1.014 . . . . 99.99 109.921 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -68.6 -37.73 80.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.179 -0.951 . . . . 99.99 110.006 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.15 -24.8 67.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 99.99 110.158 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -69.94 -25.54 63.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.261 -0.899 . . . . 99.99 109.551 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.352 -0.842 . . . . 99.99 109.83 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 110.121 -0.326 . . . . 99.99 110.121 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.18 129.86 16.74 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.477 1.251 . . . . 99.99 110.335 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.03 174.36 12.11 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.514 1.271 . . . . 99.99 110.536 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.35 -27.49 13.8 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.679 -1.368 . . . . 99.99 109.679 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.43 -45.18 84.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.222 -1.163 . . . . 99.99 110.291 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.5 m -67.37 -36.07 80.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.18 -0.95 . . . . 99.99 110.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.56 -46.31 89.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.373 -0.829 . . . . 99.99 110.447 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -49.15 66.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 99.99 110.348 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.93 -34.2 69.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.194 -0.941 . . . . 99.99 110.334 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -53.68 55.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.076 -1.015 . . . . 99.99 109.961 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.98 55.3 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.102 -1.599 . . . . 99.99 109.102 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -67.73 -47.49 69.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.988 . . . . 99.99 109.449 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -50.5 -30.76 13.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.809 . . . . 99.99 110.094 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.02 -72.07 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.416 -0.803 . . . . 99.99 109.955 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 9.5 pt-20 -47.32 -35.3 7.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.861 . . . . 99.99 110.746 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' B' ' 21' ' ' GLU . 41.7 t -56.58 -46.29 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.93 . . . . 99.99 109.846 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.68 -22.52 46.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 99.99 110.25 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -81.52 -67.21 0.8 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 99.99 110.211 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.405 ' HB3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -54.92 -29.59 56.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.125 -0.984 . . . . 99.99 109.982 179.748 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 51.16 55.52 16.28 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 99.99 110.504 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.405 ' HD3' ' HB3' ' B' ' 25' ' ' GLN . 46.9 Cg_endo -73.62 151.25 46.63 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.631 1.332 . . . . 99.99 110.338 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.01 -46.63 1.06 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.666 1.35 . . . . 99.99 109.913 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 30.6 p-10 -111.94 119.13 37.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.403 -0.81 . . . . 99.99 109.842 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -33.28 64.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.264 -0.898 . . . . 99.99 110.598 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 46.6 t -50.67 -65.93 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 99.99 110.112 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.78 -39.38 65.37 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.538 -0.726 . . . . 99.99 110.014 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.403 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 20.6 t80 -61.33 -55.34 32.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.237 -0.914 . . . . 99.99 109.599 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.71 -34.19 51.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.803 . . . . 99.99 110.169 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.17 -39.95 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.213 -0.929 . . . . 99.99 110.393 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -70.16 -37.89 75.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.198 -0.939 . . . . 99.99 110.54 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -70.37 -66.85 0.55 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.214 -0.929 . . . . 99.99 110.492 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -49.09 -47.58 45.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.87 . . . . 99.99 110.708 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -56.31 -38.88 71.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 99.99 109.981 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -31.24 51.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.938 . . . . 99.99 110.251 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.03 83.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 99.99 110.237 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -20.91 63.84 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.204 -0.935 . . . . 99.99 110.036 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 99.99 110.401 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.221 0.534 . . . . 99.99 110.193 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 99.99 109.887 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.88 -23.06 6.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 99.99 110.166 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.32 -55.12 3.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 99.99 109.713 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.89 81.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.265 -0.897 . . . . 99.99 109.698 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.483 ' CB ' ' CG2' ' A' ' 19' ' ' THR . . . -68.17 -43.46 78.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -0.921 . . . . 99.99 109.269 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 27.2 t -53.53 -29.2 35.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 99.99 109.818 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.18 73.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.204 -0.935 . . . . 99.99 110.254 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.95 -34.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.116 -0.99 . . . . 99.99 109.765 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' C' ' 15' ' ' ILE . 93.9 t -69.47 -38.55 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.772 . . . . 99.99 109.736 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.3 -39.59 93.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.564 -0.71 . . . . 99.99 110.733 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.25 -23.1 38.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.943 . . . . 99.99 110.737 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 69.6 t -89.77 -25.31 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.023 -1.048 . . . . 99.99 109.622 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . 0.41 ' CG2' ' O ' ' C' ' 11' ' ' VAL . 5.0 tt -85.28 -20.42 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.42 -0.8 . . . . 99.99 109.913 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -70.51 -23.66 62.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 99.99 110.351 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -101.92 -43.43 5.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.275 -0.891 . . . . 99.99 110.892 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.095 -1.003 . . . . 99.99 110.558 -179.617 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.86 -0.422 . . . . 99.99 109.86 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.45 112.06 3.37 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.378 1.199 . . . . 99.99 110.688 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -75.38 171.92 17.32 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.566 1.298 . . . . 99.99 110.24 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.57 -2.85 85.01 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.904 -1.141 . . . . 99.99 110.305 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.67 -20.11 57.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.361 . . . . 99.99 110.414 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.3 m -73.46 -62.51 1.46 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 99.99 110.251 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.72 -22.76 9.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 99.99 110.384 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.95 -57.46 3.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.142 -0.974 . . . . 99.99 110.19 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.94 -55.51 34.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 99.99 110.008 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -44.26 61.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.877 . . . . 99.99 109.962 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -57.38 -48.05 83.44 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.969 -1.652 . . . . 99.99 108.969 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.73 -27.02 64.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.48 -1.012 . . . . 99.99 110.232 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -69.7 -39.28 76.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 99.99 110.163 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.51 -26.63 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.071 -1.018 . . . . 99.99 110.511 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -77.92 -54.32 6.44 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.135 -0.978 . . . . 99.99 108.702 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.8 t -50.08 -33.11 9.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 121.338 0.59 . . . . 99.99 109.947 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.56 -36.49 29.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 99.99 109.814 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -68.54 0.42 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.389 -0.819 . . . . 99.99 110.378 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -56.82 -30.48 63.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 99.99 110.64 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.59 59.36 15.4 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 99.99 110.076 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.93 164.62 35.05 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.592 1.311 . . . . 99.99 110.723 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.24 -20.74 32.19 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.777 1.409 . . . . 99.99 110.257 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -162.24 145.93 11.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.381 -0.824 . . . . 99.99 110.105 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' A' ' 30' ' ' LEU . 6.3 mp -85.89 -22.15 27.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.226 -0.921 . . . . 99.99 109.95 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.38 -58.47 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 99.99 109.719 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.27 -45.16 73.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.537 -0.727 . . . . 99.99 109.999 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.44 -49.13 79.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 99.99 109.627 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 30' ' ' LEU . . . -56.68 -40.98 76.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 99.99 109.856 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.4 ' O ' ' HB ' ' A' ' 39' ' ' THR . 69.9 t -71.41 -28.38 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.338 -0.851 . . . . 99.99 109.819 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -28.37 22.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.296 -0.877 . . . . 99.99 109.382 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 41.3 t80 -80.41 -52.69 7.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.275 -0.891 . . . . 99.99 110.319 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -66.12 -43.49 87.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 99.99 110.648 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 24.0 m -57.81 -44.51 86.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.114 -0.991 . . . . 99.99 109.78 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -63.67 -26.58 68.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 99.99 109.86 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -38.68 81.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 99.99 109.826 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -23.28 66.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 99.99 110.173 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 99.99 110.574 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.976 -0.379 . . . . 99.99 109.976 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.66 133.56 20.6 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.621 1.327 . . . . 99.99 110.375 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.19 -178.14 3.07 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 123.559 1.294 . . . . 99.99 110.506 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.89 1.04 90.6 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.27 -1.132 . . . . 99.99 110.27 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.429 ' HG ' ' CD1' ' B' ' 15' ' ' LEU . 2.1 tp -87.94 -41.8 12.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.864 -1.374 . . . . 99.99 110.325 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 m -62.13 -54.8 36.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 99.99 110.407 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.39 -53.42 56.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 99.99 110.477 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -52.14 64.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 99.99 110.498 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.429 ' CD1' ' HG ' ' B' ' 11' ' ' LEU . 96.0 mt -61.22 -44.39 97.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.247 -0.908 . . . . 99.99 110.455 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.09 -45.94 61.64 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.12 -0.987 . . . . 99.99 110.416 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.38 -45.27 84.05 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.362 -1.495 . . . . 99.99 109.362 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -65.14 -38.22 89.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -1.15 . . . . 99.99 110.145 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.0 m -50.96 -57.31 8.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.081 -1.012 . . . . 99.99 109.24 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.95 -47.11 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.133 -1.062 . . . . 99.99 108.133 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -65.72 0.52 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.495 0.664 . . . . 99.99 110.874 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.06 -40.36 45.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.449 -0.782 . . . . 99.99 110.332 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.04 -11.08 60.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.143 -0.973 . . . . 99.99 110.682 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 -58.54 1.91 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 99.99 110.323 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.28 -37.03 74.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 99.99 110.358 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.37 56.14 15.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 99.99 110.013 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.421 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 45.2 Cg_endo -71.14 162.15 43.54 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.65 1.342 . . . . 99.99 110.822 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.85 -37.24 5.25 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.757 1.399 . . . . 99.99 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -120.45 120.94 37.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.294 -0.879 . . . . 99.99 110.165 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.95 -33.4 57.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.259 -0.9 . . . . 99.99 109.97 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 t -54.64 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.414 -0.804 . . . . 99.99 109.965 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.68 -35.06 68.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.403 -0.811 . . . . 99.99 109.861 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.421 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 29.7 t80 -66.79 -50.83 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 99.99 109.632 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 -29.96 58.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.894 . . . . 99.99 109.774 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' B' ' 39' ' ' THR . 97.7 t -73.18 -54.71 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.327 -0.858 . . . . 99.99 110.14 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.65 -36.53 56.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.192 -0.943 . . . . 99.99 110.511 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -67.37 -74.73 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 99.99 110.718 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -53.05 -42.62 65.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 99.99 110.765 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' B' ' 35' ' ' VAL . 45.1 m -52.58 -52.67 54.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.963 -1.086 . . . . 99.99 109.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -30.26 69.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 99.99 110.113 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.51 -20.48 64.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 99.99 110.274 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -22.83 47.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.134 -0.979 . . . . 99.99 110.295 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 99.99 110.424 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.113 0.483 . . . . 99.99 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 mt -80.15 -51.12 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.1 -1.0 . . . . 99.99 110.47 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.96 -20.33 15.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.169 -0.957 . . . . 99.99 110.121 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.36 -42.75 12.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 99.99 109.568 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.2 -27.95 61.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.792 . . . . 99.99 109.994 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.438 ' HB3' ' CG2' ' A' ' 19' ' ' THR . . . -80.33 -21.45 42.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 99.99 109.953 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.9 p -80.12 -34.17 38.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.134 -0.979 . . . . 99.99 109.873 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -47.93 29.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 99.99 110.207 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.7 OUTLIER -53.72 -42.55 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 99.99 109.421 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 53.0 t -64.86 -27.08 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 99.99 109.351 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.07 -34.07 76.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 99.99 110.37 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -41.05 62.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 99.99 110.595 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.0 t -66.68 -45.48 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.046 -1.034 . . . . 99.99 109.728 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -66.64 -19.8 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.025 . . . . 99.99 110.19 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.02 -31.31 44.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 99.99 110.265 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -44.46 12.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.89 . . . . 99.99 110.264 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.307 -0.871 . . . . 99.99 110.318 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 110.079 -0.341 . . . . 99.99 110.079 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 116.04 4.53 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.463 1.243 . . . . 99.99 110.269 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.54 176.72 8.36 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.516 1.272 . . . . 99.99 110.682 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.15 1.46 81.78 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.19 -1.164 . . . . 99.99 110.19 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.59 -6.62 58.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.861 -1.376 . . . . 99.99 110.631 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 m -74.69 -65.52 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.022 -1.049 . . . . 99.99 110.44 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -40.13 57.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.323 -0.861 . . . . 99.99 110.526 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.52 -61.66 2.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 99.99 110.409 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.04 -67.38 0.38 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.217 -0.927 . . . . 99.99 110.588 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 -37.44 21.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.187 -0.946 . . . . 99.99 110.463 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.89 57.31 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.69 -1.764 . . . . 99.99 108.69 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.427 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 7.5 t80 -73.7 -47.27 40.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.553 -0.969 . . . . 99.99 109.57 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.437 ' CG2' ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.59 -29.2 36.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 99.99 109.802 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -76.21 -77.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.357 -0.839 . . . . 99.99 110.582 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 9.5 pt-20 -47.22 -43.18 21.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 99.99 111.159 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 18' ' ' TYR . 95.3 t -57.94 -39.23 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 99.99 110.06 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt -84.27 -58.78 2.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.133 -0.979 . . . . 99.99 110.384 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.82 -57.86 10.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 99.99 110.313 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -90.61 59.73 4.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.938 . . . . 99.99 110.096 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -36.55 97.35 0.13 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.918 -0.489 . . . . 99.99 111.712 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 25' ' ' GLN . 50.0 Cg_endo -75.76 164.13 32.48 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.942 1.496 . . . . 99.99 110.404 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.64 -44.5 1.45 Allowed 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.599 1.315 . . . . 99.99 110.062 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.56 122.25 23.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.476 -0.765 . . . . 99.99 109.835 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -43.83 91.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 99.99 109.893 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.27 -59.61 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.322 -0.861 . . . . 99.99 109.566 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.68 -38.39 84.81 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.553 -0.717 . . . . 99.99 109.845 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.74 -39.44 94.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 99.99 109.641 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB1' ' CG ' ' B' ' 38' ' ' PHE . . . -61.68 -40.68 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.391 -0.818 . . . . 99.99 109.848 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' B' ' 38' ' ' PHE . 87.5 t -74.98 -37.47 41.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.342 -0.849 . . . . 99.99 109.972 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.25 -26.2 61.02 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.292 -0.88 . . . . 99.99 109.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 34.1 t80 -78.69 -66.43 0.86 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 99.99 110.465 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -54.94 -48.85 72.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 99.99 110.564 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 52.1 m -52.43 -46.86 66.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.947 -1.096 . . . . 99.99 109.902 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -28.94 67.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 99.99 109.855 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.27 -41.45 84.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 99.99 109.83 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -44.68 54.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.117 -0.99 . . . . 99.99 110.141 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.334 -0.854 . . . . 99.99 110.454 179.822 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 mm . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 110.204 -0.295 . . . . 99.99 110.204 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.71 119.2 5.95 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.424 1.223 . . . . 99.99 110.361 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.06 164.35 35.74 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.402 1.212 . . . . 99.99 110.385 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.59 76.08 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.766 -1.333 . . . . 99.99 109.766 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -87.71 -38.71 15.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.186 -1.184 . . . . 99.99 110.055 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -71.35 -36.77 71.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 99.99 109.955 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.34 -50.94 71.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.33 -0.856 . . . . 99.99 109.982 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.46 -43.23 71.5 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 99.99 109.964 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.3 mt -71.69 -40.32 69.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 99.99 110.027 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -45.02 73.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 99.99 109.734 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.15 -51.73 55.7 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.13 -1.588 . . . . 99.99 109.13 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.468 ' CE1' ' HA ' ' B' ' 34' ' ' ALA . 15.8 t80 -55.15 -31.58 61.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -1.154 . . . . 99.99 110.084 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.0 m -68.43 -43.93 76.04 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.859 . . . . 99.99 110.43 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.26 -19.89 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.218 -0.927 . . . . 99.99 110.562 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.455 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.4 mt-10 -89.98 -48.92 6.9 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.145 -0.972 . . . . 99.99 108.992 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.59 -25.31 7.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.711 -0.618 . . . . 99.99 110.023 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -90.15 -36.9 14.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 99.99 110.294 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -57.5 3.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 99.99 110.386 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -62.73 -39.93 95.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 99.99 110.557 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 54.27 54.62 11.4 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.284 -0.885 . . . . 99.99 109.997 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 47.6 Cg_endo -71.36 156.32 58.84 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.731 1.385 . . . . 99.99 110.62 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.15 -37.89 5.52 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.712 1.375 . . . . 99.99 110.22 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.71 130.9 55.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 99.99 110.011 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.79 -39.12 16.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.317 -0.865 . . . . 99.99 110.324 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -49.5 -67.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 99.99 110.25 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -55.23 -42.4 73.35 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.419 -0.801 . . . . 99.99 109.7 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -57.53 -51.97 67.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.874 . . . . 99.99 109.684 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.468 ' HA ' ' CE1' ' B' ' 18' ' ' TYR . . . -48.92 -34.96 13.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.396 -0.815 . . . . 99.99 110.503 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 88.5 t -70.96 -51.41 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.128 -0.982 . . . . 99.99 109.965 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.28 -30.32 59.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.347 -0.846 . . . . 99.99 110.166 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.455 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 29.8 t80 -74.75 -73.48 0.24 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 99.99 110.378 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.477 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 15.2 m-85 -49.48 -42.36 43.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.213 -0.929 . . . . 99.99 110.536 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -53.67 -43.55 68.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.205 -0.935 . . . . 99.99 109.962 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -27.76 69.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 99.99 110.099 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -25.33 63.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 99.99 110.072 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -18.73 62.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 99.99 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 C--N 1.306 -1.302 0 O-C-N 121.215 -0.928 . . . . 99.99 109.715 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.329 0.585 . . . . 99.99 110.249 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 mt -59.8 -49.35 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.377 -0.827 . . . . 99.99 110.278 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -57.57 -19.51 26.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.315 -0.865 . . . . 99.99 110.396 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.52 -50.88 5.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 99.99 109.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.98 77.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 99.99 109.783 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.437 ' HA ' ' CG2' ' A' ' 19' ' ' THR . . . -72.49 -22.99 60.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.173 -0.954 . . . . 99.99 109.444 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -67.91 -45.71 73.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.314 -0.866 . . . . 99.99 109.642 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -62.13 -36.21 81.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 99.99 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 mm -53.73 -42.86 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 99.99 109.275 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.14 -45.39 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 99.99 110.017 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -61.54 -29.09 69.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.313 -0.867 . . . . 99.99 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.68 -26.37 34.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 99.99 110.452 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 69.9 t -87.57 -26.53 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.145 -0.972 . . . . 99.99 109.723 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.47 -23.96 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 99.99 109.704 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.64 -33.31 75.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.221 -0.925 . . . . 99.99 110.212 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -40.75 15.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 99.99 110.107 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.835 . . . . 99.99 110.58 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.75 -0.463 . . . . 99.99 109.75 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.47 113.77 3.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.772 1.407 . . . . 99.99 110.367 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.92 -172.97 1.39 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.496 1.261 . . . . 99.99 110.186 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.1 13.35 60.6 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.91 -1.276 . . . . 99.99 109.91 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.61 -29.69 18.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.259 . . . . 99.99 109.968 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.1 m -62.16 -60.32 3.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 99.99 110.248 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.27 -25.77 49.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.273 -0.892 . . . . 99.99 110.023 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.9 -51.06 10.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 99.99 110.188 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.05 -55.3 13.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 99.99 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.71 -45.25 48.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.1 -1.0 . . . . 99.99 110.197 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.0 -42.35 70.62 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.137 -1.585 . . . . 99.99 109.137 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.76 -32.8 73.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.381 -1.07 . . . . 99.99 109.923 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.434 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -66.3 -31.33 72.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.312 -0.868 . . . . 99.99 110.37 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -79.63 -21.66 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 99.99 110.504 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -91.46 -48.95 6.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.113 -0.992 . . . . 99.99 109.157 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.42 -32.27 40.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.624 -0.672 . . . . 99.99 110.417 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -86.14 -33.96 20.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 99.99 110.352 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -78.52 -71.8 0.41 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.246 -0.909 . . . . 99.99 110.325 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.58 -34.19 24.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.329 -0.857 . . . . 99.99 110.475 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 52.39 56.35 15.2 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.87 . . . . 99.99 110.206 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.31 151.76 66.13 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.633 1.333 . . . . 99.99 110.423 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.03 -30.57 16.24 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.685 1.361 . . . . 99.99 110.395 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -115.38 130.87 57.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.356 -0.84 . . . . 99.99 110.205 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.42 -49.37 6.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.222 -0.923 . . . . 99.99 110.108 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.5 -62.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.265 -0.897 . . . . 99.99 109.894 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -54.55 -34.61 62.12 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.606 -0.684 . . . . 99.99 109.865 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -65.78 -46.82 77.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.918 . . . . 99.99 109.66 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.09 -33.76 58.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.348 -0.845 . . . . 99.99 109.999 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.07 -54.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.313 -0.867 . . . . 99.99 110.159 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.01 -36.86 63.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 99.99 110.539 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 5.9 t80 -65.93 -76.96 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.262 -0.899 . . . . 99.99 110.459 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -48.76 -47.9 41.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 99.99 110.908 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.4 m -50.43 -32.45 17.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.171 -0.956 . . . . 99.99 110.666 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.67 21.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 99.99 109.974 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -56.09 -21.99 25.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.338 -0.851 . . . . 99.99 110.403 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -27.4 60.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.179 -0.95 . . . . 99.99 109.871 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 99.99 110.523 179.836 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.918 -0.401 . . . . 99.99 109.918 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -72.23 136.44 26.75 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.534 1.281 . . . . 99.99 110.532 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.99 160.76 39.81 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.64 1.337 . . . . 99.99 110.493 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.1 -21.21 41.29 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.849 -1.3 . . . . 99.99 109.849 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.6 -50.4 31.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.221 -1.164 . . . . 99.99 110.433 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.8 m -54.6 -63.03 1.28 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 99.99 110.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.38 -52.99 40.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 99.99 110.283 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.23 -35.95 65.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 99.99 110.29 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.74 -51.66 13.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 99.99 110.151 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -39.48 58.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.124 -0.985 . . . . 99.99 110.169 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.55 66.48 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.33 -1.508 . . . . 99.99 109.33 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -62.07 -39.72 93.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.308 -1.113 . . . . 99.99 110.111 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -50.61 -61.33 2.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.044 -1.035 . . . . 99.99 109.316 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.11 -41.05 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.475 -0.935 . . . . 99.99 108.475 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 0.1 OUTLIER -53.45 -63.97 0.97 Allowed 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.316 0.579 . . . . 99.99 111.088 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 87.2 t -47.62 -33.58 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.513 -0.742 . . . . 99.99 110.676 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.42 ' CD2' ' N ' ' B' ' 23' ' ' LEU . 4.5 mm? -84.89 -20.11 31.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.102 -0.999 . . . . 99.99 110.067 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -72.8 -61.38 1.83 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 99.99 109.776 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.0 -26.05 34.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.266 -0.896 . . . . 99.99 109.907 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 51.54 55.36 15.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 99.99 110.355 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 46.8 Cg_endo -71.79 149.21 53.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.684 1.36 . . . . 99.99 110.415 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.57 -40.16 5.97 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.648 1.341 . . . . 99.99 110.218 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -107.65 115.62 30.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 99.99 109.952 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.37 -34.27 36.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.195 -0.941 . . . . 99.99 110.35 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -50.11 -65.67 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.214 -0.929 . . . . 99.99 110.239 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -41.39 84.1 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.448 -0.782 . . . . 99.99 109.926 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.93 -44.55 97.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 99.99 109.95 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -59.63 -42.79 93.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 99.99 109.954 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' B' ' 39' ' ' THR . 91.5 t -69.13 -44.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.329 -0.857 . . . . 99.99 109.987 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.19 -34.27 70.17 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.777 . . . . 99.99 110.022 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 18.1 t80 -75.89 -69.05 0.52 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.106 -0.996 . . . . 99.99 110.713 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 28.0 m-85 -51.31 -45.63 62.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.261 -0.899 . . . . 99.99 110.919 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' B' ' 35' ' ' VAL . 35.2 m -51.41 -51.76 52.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.08 -1.012 . . . . 99.99 110.277 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -71.44 -22.19 61.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 99.99 110.263 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.73 -19.79 61.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.302 -0.874 . . . . 99.99 110.435 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -27.19 26.57 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.193 -0.942 . . . . 99.99 110.021 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 99.99 110.213 179.925 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.21 0.529 . . . . 99.99 110.099 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 mt -63.17 -51.63 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 99.99 110.037 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -21.16 48.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.148 -0.97 . . . . 99.99 109.95 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -88.23 -52.49 5.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 99.99 109.63 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.17 71.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.418 -0.801 . . . . 99.99 109.869 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.434 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -78.53 -27.79 46.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 99.99 109.649 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -76.4 -37.06 57.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.32 -0.862 . . . . 99.99 109.868 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -80.99 -46.35 15.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 99.99 110.119 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 1.2 tt -52.28 -41.82 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 99.99 109.58 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 70.5 t -63.97 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.468 -0.77 . . . . 99.99 109.311 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.29 -42.4 30.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.387 -0.821 . . . . 99.99 110.688 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.97 85.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.94 . . . . 99.99 110.252 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -66.48 -28.66 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 99.99 109.932 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mm -70.88 -24.92 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.123 -0.986 . . . . 99.99 109.785 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -27.59 61.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 99.99 110.325 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.52 -41.64 23.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.21 -0.931 . . . . 99.99 110.301 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 99.99 110.551 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 2.4 pp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 110.09 -0.337 . . . . 99.99 110.09 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.99 114.65 3.97 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.606 1.319 . . . . 99.99 110.539 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.25 164.39 35.78 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.474 1.25 . . . . 99.99 110.581 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.01 -24.69 10.56 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.751 -1.339 . . . . 99.99 109.751 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.43 ' HG ' ' CD1' ' A' ' 15' ' ' LEU . 10.4 tp -54.15 -26.37 27.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.218 -1.166 . . . . 99.99 110.4 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.1 m -60.76 -59.76 4.88 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.226 -0.921 . . . . 99.99 110.288 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.44 -30.8 61.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 99.99 110.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.27 -58.57 3.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.166 -0.959 . . . . 99.99 110.528 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 68.9 mt -61.94 -57.38 11.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 99.99 110.639 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.15 -37.42 46.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.088 -1.008 . . . . 99.99 110.239 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.15 96.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.3 -1.52 . . . . 99.99 109.3 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 34' ' ' ALA . 9.5 t80 -72.33 -35.72 68.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.348 -1.089 . . . . 99.99 110.262 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.72 -54.84 32.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.066 -1.022 . . . . 99.99 108.988 179.362 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.36 -46.95 94.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.155 -1.054 . . . . 99.99 108.155 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -50.56 -56.26 12.48 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.362 0.601 . . . . 99.99 111.074 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.4 -24.51 35.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.301 -0.874 . . . . 99.99 110.508 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.43 -26.61 20.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.128 -0.982 . . . . 99.99 110.147 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -75.48 -55.8 5.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.292 -0.88 . . . . 99.99 110.128 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.72 -30.42 36.27 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.272 -0.893 . . . . 99.99 109.73 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.85 57.61 14.74 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.247 -0.908 . . . . 99.99 110.235 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.6 151.43 58.45 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.525 1.276 . . . . 99.99 110.48 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.79 -36.72 7.63 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.671 1.353 . . . . 99.99 110.366 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 20.7 p-10 -111.08 122.71 48.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 99.99 110.189 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -89.24 -33.27 17.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 99.99 110.166 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.3 t -52.54 -61.17 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.25 -0.906 . . . . 99.99 109.92 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.05 -45.73 90.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.541 -0.724 . . . . 99.99 109.978 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 19.2 t80 -57.4 -54.21 49.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 99.99 109.612 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 18' ' ' TYR . . . -49.22 -35.01 16.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 99.99 110.313 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.79 -53.45 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.288 -0.882 . . . . 99.99 110.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -49.71 -46.6 50.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 99.99 110.662 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.462 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 18.2 t80 -55.17 -72.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 99.99 110.201 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 27.5 m-85 -54.46 -41.97 70.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 99.99 110.492 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -53.17 -49.77 65.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.962 . . . . 99.99 109.943 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -31.02 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 99.99 109.848 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -36.73 65.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 99.99 110.041 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -44.57 84.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.407 -0.808 . . . . 99.99 110.277 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 99.99 110.293 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.79 -0.448 . . . . 99.99 109.79 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.49 138.14 31.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.451 1.237 . . . . 99.99 110.545 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.06 157.65 50.58 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.634 1.334 . . . . 99.99 110.43 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.36 -25.9 4.47 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.48 -1.448 . . . . 99.99 109.48 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -76.79 -8.58 57.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.281 -1.129 . . . . 99.99 110.541 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.0 m -80.65 -60.15 2.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 99.99 110.583 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.67 -49.72 64.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.363 -0.835 . . . . 99.99 110.769 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.69 -56.97 14.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.24 -0.912 . . . . 99.99 110.704 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -58.45 -46.17 87.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -0.989 . . . . 99.99 110.603 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -50.08 -44.97 52.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.012 -1.055 . . . . 99.99 110.308 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.65 80.33 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.033 -1.627 . . . . 99.99 109.033 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.4 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 14.9 t80 -55.82 -34.38 65.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.336 -1.097 . . . . 99.99 109.75 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -64.84 -42.27 95.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.412 -0.805 . . . . 99.99 110.233 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.37 -21.98 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 99.99 110.388 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.2 mt-10 -89.92 -51.45 5.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.266 -0.896 . . . . 99.99 108.827 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 41.6 t -48.36 -31.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.756 -0.59 . . . . 99.99 110.121 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -89.37 -31.56 17.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.264 -0.897 . . . . 99.99 109.964 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.22 -63.02 1.46 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.294 -0.879 . . . . 99.99 110.356 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -53.8 -34.83 60.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -0.931 . . . . 99.99 110.122 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.0 OUTLIER 51.93 51.17 9.45 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.452 -0.78 . . . . 99.99 110.403 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 45.9 Cg_endo -70.82 156.09 61.23 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.596 1.314 . . . . 99.99 110.382 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.26 -50.59 0.4 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.702 1.37 . . . . 99.99 110.381 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -110.76 114.49 27.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 99.99 109.982 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.48 -32.21 72.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.92 . . . . 99.99 110.263 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.08 -62.93 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.239 -0.913 . . . . 99.99 109.963 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.71 -42.65 89.18 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.565 -0.71 . . . . 99.99 110.045 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.465 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 23.2 t80 -58.69 -52.36 66.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.907 . . . . 99.99 109.733 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.18 -38.83 54.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 99.99 110.503 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 95.5 t -70.93 -42.03 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.141 -0.975 . . . . 99.99 110.361 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.3 -29.77 70.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.897 . . . . 99.99 110.776 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.463 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 37.4 t80 -72.28 -60.75 2.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.121 -0.987 . . . . 99.99 110.608 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -62.94 -47.73 81.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.135 -0.978 . . . . 99.99 110.58 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 71.9 m -51.91 -45.94 64.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.104 -0.998 . . . . 99.99 110.201 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -68.85 -29.71 68.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -0.941 . . . . 99.99 109.866 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tp -55.66 -39.41 70.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.851 . . . . 99.99 110.218 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -48.64 47.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.302 -0.874 . . . . 99.99 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 99.99 109.882 179.734 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.047 0.451 . . . . 99.99 110.607 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mt -47.92 -38.73 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.235 -0.916 . . . . 99.99 110.505 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.94 -19.91 66.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.176 -0.952 . . . . 99.99 110.208 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -97.08 -42.74 7.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 99.99 109.706 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -32.76 72.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.249 -0.907 . . . . 99.99 109.651 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.427 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -79.52 -21.01 45.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.258 -0.901 . . . . 99.99 109.675 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -32.02 45.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 99.99 109.574 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -49.54 14.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.197 -0.939 . . . . 99.99 109.955 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.9 OUTLIER -51.78 -41.5 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.056 -1.027 . . . . 99.99 109.496 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . 0.421 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 76.6 t -66.54 -36.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.435 -0.791 . . . . 99.99 109.093 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -55.92 -40.96 73.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 99.99 109.878 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.26 91.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 99.99 110.057 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 t -64.59 -31.56 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 99.99 109.438 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 81.4 mt -74.27 -27.94 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.214 -0.928 . . . . 99.99 109.777 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -85.17 -21.94 28.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 99.99 110.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -92.0 -36.74 13.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 99.99 110.557 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 99.99 110.089 -179.776 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.25 0.548 . . . . 99.99 110.159 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.2 ttt -95.47 56.59 1.84 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.207 -0.933 . . . . 99.99 110.485 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.07 51.62 0.05 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.606 -1.397 . . . . 99.99 109.606 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -148.04 63.81 1.11 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -1.163 . . . . 99.99 110.267 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 tp -122.56 136.95 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.28 -0.887 . . . . 99.99 110.309 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.423 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -170.12 53.04 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.156 -0.965 . . . . 99.99 110.39 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -162.4 66.72 1.88 Allowed Pre-proline 0 N--CA 1.498 1.96 0 O-C-N 121.37 -0.831 . . . . 99.99 110.437 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.96 128.82 15.42 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.511 1.269 . . . . 99.99 110.677 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 -166.93 0.3 Allowed 'Trans proline' 0 C--N 1.314 -1.277 0 O-C-N 123.525 1.277 . . . . 99.99 110.421 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.73 -34.14 5.64 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.646 -1.382 . . . . 99.99 109.646 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.19 -17.68 64.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.196 -1.179 . . . . 99.99 110.427 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -72.03 -66.3 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.198 -0.939 . . . . 99.99 110.636 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -54.39 -31.67 55.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.28 -0.887 . . . . 99.99 110.459 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tp -69.12 -55.54 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 99.99 110.438 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -48.28 81.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.16 -0.962 . . . . 99.99 110.487 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -44.02 63.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.167 -0.958 . . . . 99.99 110.249 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.0 -49.0 64.24 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.925 -1.67 . . . . 99.99 108.925 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -53.92 -35.21 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -1.067 . . . . 99.99 109.677 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.448 ' CG2' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -66.52 -31.32 71.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.361 -0.837 . . . . 99.99 110.251 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.7 -23.91 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 99.99 110.848 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.23 -51.82 7.99 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.028 -1.045 . . . . 99.99 109.002 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.4 t -59.37 -34.69 55.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 121.211 0.529 . . . . 99.99 110.397 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.55 -29.58 41.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.959 . . . . 99.99 110.397 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -55.09 6.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.202 -0.936 . . . . 99.99 110.32 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -33.88 41.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -0.913 . . . . 99.99 110.482 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.37 63.55 8.08 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.271 -0.893 . . . . 99.99 110.112 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.56 160.26 50.08 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.65 1.342 . . . . 99.99 110.597 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.61 -42.18 2.7 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.798 1.42 . . . . 99.99 110.419 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.77 116.94 27.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.159 -0.963 . . . . 99.99 110.348 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.62 -33.49 62.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.887 . . . . 99.99 109.991 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.9 t -50.44 -54.81 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.875 . . . . 99.99 109.896 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.34 -46.97 74.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.627 -0.671 . . . . 99.99 110.071 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -56.78 -36.07 69.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 99.99 109.802 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.0 79.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 99.99 110.042 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 39' ' ' THR . 92.5 t -64.59 -28.21 44.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.282 -0.886 . . . . 99.99 110.039 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -70.48 -49.36 49.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 99.99 110.703 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.01 -70.14 0.2 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -0.813 . . . . 99.99 111.293 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -48.03 -53.04 17.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.244 -0.91 . . . . 99.99 111.351 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 22.3 m -48.9 -41.67 34.34 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 99.99 110.275 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -71.37 -28.14 63.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 99.99 109.573 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -31.87 66.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 99.99 109.909 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -18.1 60.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.291 -0.881 . . . . 99.99 110.528 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -107.53 14.22 26.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.12 -0.987 . . . . 99.99 110.636 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.89 -28.52 39.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.085 -1.009 . . . . 99.99 110.183 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.96 -65.04 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.255 -0.903 . . . . 99.99 110.085 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.005 -0.998 . . . . 99.99 110.141 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.251 0.548 . . . . 99.99 110.171 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 6.6 tpt 53.51 97.25 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.205 -0.934 . . . . 99.99 110.17 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' B' ' 4' ' ' HIS . . . -112.4 156.65 15.46 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.657 -1.377 . . . . 99.99 109.657 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' B' ' 3' ' ' GLY . 1.9 m-70 -173.05 -176.44 1.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -1.124 . . . . 99.99 110.052 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.06 139.15 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.2 -0.938 . . . . 99.99 110.171 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -135.62 -178.7 5.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.331 -0.856 . . . . 99.99 110.224 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm -121.0 140.38 30.82 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.218 -0.926 . . . . 99.99 110.142 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.13 135.51 23.01 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.664 1.349 . . . . 99.99 110.425 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.82 166.19 28.68 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.561 1.295 . . . . 99.99 110.292 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -37.05 3.85 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.735 -1.346 . . . . 99.99 109.735 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.15 -51.46 69.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -1.131 . . . . 99.99 110.167 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -61.73 -47.2 86.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.328 -0.858 . . . . 99.99 110.176 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.33 -35.31 71.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 99.99 110.163 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.61 -59.2 3.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.291 -0.881 . . . . 99.99 110.259 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.07 -35.93 65.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 99.99 109.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.22 -51.94 60.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 99.99 109.786 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.32 -41.55 98.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.786 -1.726 . . . . 99.99 108.786 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.85 -48.55 73.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -1.058 . . . . 99.99 109.652 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -51.35 -38.06 51.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.255 -0.903 . . . . 99.99 110.138 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.59 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.286 -0.884 . . . . 99.99 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.81 -39.32 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.672 -0.643 . . . . 99.99 111.221 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.76 -43.37 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.938 -1.102 . . . . 99.99 109.773 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.41 -46.82 21.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 99.99 110.345 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -50.54 70.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.109 -0.995 . . . . 99.99 110.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -34.92 60.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 99.99 110.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.18 55.68 16.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.377 -0.827 . . . . 99.99 110.288 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.16 161.75 44.84 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.728 1.383 . . . . 99.99 110.429 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.13 -50.92 0.3 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.709 1.373 . . . . 99.99 110.222 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.61 122.14 44.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.895 . . . . 99.99 110.124 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.57 -27.14 58.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 99.99 110.216 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.06 -68.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 99.99 110.312 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -53.58 -42.29 67.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.781 . . . . 99.99 109.835 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -57.42 -53.32 59.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 99.99 109.787 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.59 54.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.331 -0.856 . . . . 99.99 110.26 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 64.0 t -71.19 -33.16 49.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.253 -0.904 . . . . 99.99 110.116 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.267 -0.896 . . . . 99.99 110.549 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -77.15 -67.32 0.72 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.132 -0.98 . . . . 99.99 110.465 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -53.75 -45.52 70.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -0.928 . . . . 99.99 110.527 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -57.08 -36.98 71.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.13 -0.981 . . . . 99.99 110.15 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttt85 -73.74 -30.16 62.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.931 . . . . 99.99 110.084 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -41.48 81.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 99.99 109.845 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -34.33 29.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 99.99 110.22 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.3 -25.25 66.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 99.99 109.98 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.37 -42.55 62.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.306 -0.871 . . . . 99.99 110.125 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 78.42 3.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 99.99 110.285 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.994 -1.003 . . . . 99.99 110.331 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.24 0.543 . . . . 99.99 110.137 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -73.03 -29.45 63.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 99.99 110.108 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.84 -39.72 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.867 . . . . 99.99 110.094 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.88 -16.86 53.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 99.99 110.287 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -94.88 -43.23 8.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 99.99 109.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.84 61.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.357 -0.839 . . . . 99.99 109.877 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.448 ' CB ' ' CG2' ' A' ' 19' ' ' THR . . . -80.06 -20.39 45.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.246 -0.909 . . . . 99.99 109.683 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -78.53 -34.26 47.31 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.132 -0.98 . . . . 99.99 109.632 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -79.6 -39.99 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.286 -0.884 . . . . 99.99 110.113 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.3 OUTLIER -55.43 -41.7 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.967 . . . . 99.99 109.181 179.588 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . 0.423 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 89.5 t -64.07 -40.79 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.545 -0.722 . . . . 99.99 109.784 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -29.41 33.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.477 -0.764 . . . . 99.99 110.761 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -46.21 25.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.069 -1.02 . . . . 99.99 110.441 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.46 -45.51 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 99.99 110.152 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -27.0 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.167 -0.958 . . . . 99.99 110.344 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.81 -22.07 63.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 99.99 110.411 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -101.36 -50.46 3.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -0.902 . . . . 99.99 110.807 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.4 -33.9 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.162 -0.961 . . . . 99.99 110.725 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -89.25 -25.21 21.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.993 -1.067 . . . . 99.99 110.308 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.38 3.53 51.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.311 -0.868 . . . . 99.99 110.576 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.29 -32.16 26.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.004 -1.06 . . . . 99.99 110.179 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.32 55.65 1.08 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.61 -1.396 . . . . 99.99 109.61 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.5 -56.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.255 -1.144 . . . . 99.99 110.282 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.986 -1.007 . . . . 99.99 110.301 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.251 0.548 . . . . 99.99 110.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.426 ' HG3' ' N ' ' A' ' 3' ' ' GLY . 8.3 ptp -130.03 -38.54 1.43 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.87 . . . . 99.99 110.197 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 2' ' ' MET . . . -87.75 121.17 5.79 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.461 -1.456 . . . . 99.99 109.461 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.71 96.65 5.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.24 -1.153 . . . . 99.99 110.218 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 mt -146.85 135.47 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 99.99 110.348 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.85 38.56 1.64 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 99.99 110.262 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mp -120.55 104.52 42.53 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.226 -0.921 . . . . 99.99 109.939 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -71.38 112.67 3.4 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.589 1.31 . . . . 99.99 110.772 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.79 174.82 11.21 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.611 1.322 . . . . 99.99 110.332 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.94 -7.93 80.96 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.251 -1.14 . . . . 99.99 110.251 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.5 tp -66.18 -13.0 59.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.862 -1.375 . . . . 99.99 110.731 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 m -79.85 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 99.99 110.511 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -31.0 11.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 99.99 110.618 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -53.9 9.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 99.99 110.351 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.41 -60.97 2.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 99.99 110.439 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' HG3' ' CG2' ' C' ' 11' ' ' VAL . 0.0 OUTLIER -50.67 -36.67 36.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.171 -0.956 . . . . 99.99 110.335 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -55.84 -42.88 86.95 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.829 -1.708 . . . . 99.99 108.829 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.416 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 13.4 t80 -62.66 -39.15 92.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.471 -1.017 . . . . 99.99 109.762 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.431 ' CG2' ' HB3' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -61.64 -33.5 74.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.422 -0.799 . . . . 99.99 110.212 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -76.25 -22.69 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.837 . . . . 99.99 110.794 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -93.13 -45.72 7.76 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.053 -1.03 . . . . 99.99 109.1 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 18' ' ' TYR . 49.3 t -56.44 -32.28 35.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.679 -0.638 . . . . 99.99 110.347 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -33.54 16.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 99.99 110.362 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.79 -57.08 3.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.94 . . . . 99.99 110.365 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -30.47 71.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.254 -0.904 . . . . 99.99 110.399 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 52.27 59.64 14.23 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.258 -0.901 . . . . 99.99 110.367 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.66 151.82 64.18 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.594 1.312 . . . . 99.99 110.578 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.87 -36.8 5.7 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.685 1.36 . . . . 99.99 110.22 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.14 115.54 21.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.846 . . . . 99.99 110.103 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -49.34 46.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 99.99 110.148 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -48.59 -60.9 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.303 -0.873 . . . . 99.99 110.084 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.47 -40.22 86.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.596 -0.69 . . . . 99.99 109.705 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -61.13 -48.53 81.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 99.99 109.469 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.4 83.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 99.99 109.885 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -69.74 -28.32 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.297 -0.877 . . . . 99.99 109.656 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -31.55 34.49 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.294 -0.879 . . . . 99.99 109.518 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -78.02 -64.47 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 99.99 110.082 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -50.36 -43.25 54.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.323 -0.861 . . . . 99.99 110.651 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 m -58.61 -42.42 88.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.063 -1.023 . . . . 99.99 109.853 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -30.78 71.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 99.99 109.98 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.85 64.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.329 -0.857 . . . . 99.99 110.05 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.59 72.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.302 -0.874 . . . . 99.99 110.058 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -77.52 -32.25 53.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.304 -0.872 . . . . 99.99 110.149 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.34 -28.82 61.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 99.99 109.988 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 52.93 77.44 0.16 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.248 -0.908 . . . . 99.99 110.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 118.008 -0.996 . . . . 99.99 110.128 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.224 0.535 . . . . 99.99 110.221 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -154.58 95.95 1.84 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.22 -0.925 . . . . 99.99 110.376 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.35 127.51 8.53 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.208 -1.557 . . . . 99.99 109.208 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' B' ' 4' ' ' HIS . 38.2 t-80 -144.64 32.53 1.16 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -1.19 . . . . 99.99 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.62 130.88 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.216 -0.928 . . . . 99.99 110.412 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -169.92 172.8 6.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 99.99 110.231 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.9 141.66 71.91 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 99.99 109.98 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.16 135.12 24.37 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.701 1.369 . . . . 99.99 110.328 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -74.89 -2.22 12.22 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.6 1.316 . . . . 99.99 111.523 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.35 -12.44 83.09 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.738 -1.345 . . . . 99.99 109.738 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -80.27 -35.93 35.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.007 -1.29 . . . . 99.99 110.265 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -54.48 -66.48 0.39 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 99.99 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -27.44 22.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.395 -0.816 . . . . 99.99 110.353 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -61.01 1.96 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -0.946 . . . . 99.99 110.221 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.95 -53.63 53.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.336 -0.853 . . . . 99.99 110.497 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -43.53 34.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.186 -0.946 . . . . 99.99 110.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.67 -51.62 53.72 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.273 -1.531 . . . . 99.99 109.273 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.14 -41.57 65.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -1.119 . . . . 99.99 110.097 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -55.06 -35.56 64.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.842 . . . . 99.99 110.303 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -72.94 -25.01 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 99.99 110.383 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -87.7 -52.66 5.19 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.2 -0.938 . . . . 99.99 109.109 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 79.8 t -47.18 -35.78 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.808 -0.557 . . . . 99.99 110.399 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 69.8 mt -90.13 -23.52 21.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 99.99 110.189 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -87.3 -22.39 25.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.267 -0.895 . . . . 99.99 110.633 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.44 -32.95 10.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 99.99 110.702 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.469 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.2 mm100 53.7 51.57 8.65 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.128 -0.982 . . . . 99.99 110.075 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 45.5 Cg_endo -70.77 155.04 63.37 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.672 1.354 . . . . 99.99 110.621 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -71.55 -35.05 8.52 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.712 1.375 . . . . 99.99 110.144 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -123.62 121.01 34.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.841 . . . . 99.99 109.949 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -44.16 52.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 99.99 110.566 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -49.41 -58.64 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.227 -0.921 . . . . 99.99 110.107 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.71 -38.53 81.9 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.59 -0.693 . . . . 99.99 109.776 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -62.28 -49.74 74.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 99.99 109.44 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.6 79.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.342 -0.849 . . . . 99.99 109.723 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.8 -31.49 50.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.276 -0.89 . . . . 99.99 109.656 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.59 -30.14 36.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.44 -0.787 . . . . 99.99 109.349 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -78.8 -61.57 1.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 99.99 110.397 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -54.11 -50.34 67.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 99.99 110.332 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -50.63 -45.66 57.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.209 -0.932 . . . . 99.99 110.029 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -24.18 66.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.13 -0.981 . . . . 99.99 109.987 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.09 -24.12 62.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.293 -0.879 . . . . 99.99 110.415 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -83.59 -24.19 31.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.217 -0.927 . . . . 99.99 110.199 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -91.6 -23.35 19.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.264 -0.897 . . . . 99.99 110.31 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.37 -58.8 2.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.161 -0.962 . . . . 99.99 110.192 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -91.72 64.81 4.93 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 99.99 110.338 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.017 -0.992 . . . . 99.99 110.204 179.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.275 0.56 . . . . 99.99 110.169 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -155.73 -88.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.262 -0.899 . . . . 99.99 110.331 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' C' ' 7' ' ' ALA . 40.4 pt -50.32 -29.78 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.878 -1.139 . . . . 99.99 110.474 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' C' ' 8' ' ' SER . 16.9 tp10 -49.63 -30.4 8.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.349 -0.845 . . . . 99.99 110.935 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.24 -49.15 3.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 99.99 110.312 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.31 65.61 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.253 -0.905 . . . . 99.99 110.416 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.431 ' HB3' ' CG2' ' A' ' 19' ' ' THR . . . -75.78 -29.55 58.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.034 -1.041 . . . . 99.99 109.339 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' C' ' 4' ' ' GLU . 2.8 t -65.97 -37.96 87.33 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 99.99 109.538 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.06 -36.27 81.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 99.99 109.454 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.23 -38.17 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 99.99 109.204 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 16' ' ' GLN . 91.9 t -66.79 -45.99 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 99.99 110.112 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -35.11 69.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 99.99 110.961 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.84 43.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.108 -0.995 . . . . 99.99 110.745 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 55.2 t -81.03 -39.22 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.007 . . . . 99.99 109.517 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tt -72.19 -20.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 99.99 109.721 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' C' ' 20' ' ' ALA . 10.1 mt-10 -87.91 -29.16 21.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.283 -0.885 . . . . 99.99 110.127 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -88.17 -44.04 11.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.326 -0.858 . . . . 99.99 110.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.86 -45.37 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.889 . . . . 99.99 110.215 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -70.77 -32.92 70.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 99.99 110.495 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' C' ' 16' ' ' GLU . . . -82.36 -20.72 36.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.241 -0.912 . . . . 99.99 110.341 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.64 -77.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.171 -0.956 . . . . 99.99 110.107 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.14 52.17 41.87 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.88 -1.288 . . . . 99.99 109.88 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.79 -76.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.153 -1.204 . . . . 99.99 110.242 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.999 -1.0 . . . . 99.99 110.131 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.28 0.562 . . . . 99.99 110.132 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 68.0 mtt -73.01 -23.47 60.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.894 . . . . 99.99 110.219 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.13 177.29 50.67 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.502 -1.439 . . . . 99.99 109.502 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -109.74 -164.9 0.96 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -1.141 . . . . 99.99 110.27 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 5.3 mp -112.89 137.11 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.25 -0.906 . . . . 99.99 110.234 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.22 -157.67 0.62 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.277 -0.889 . . . . 99.99 110.262 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' C' ' 18' ' ' VAL . 2.2 pp -61.35 142.38 93.76 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 99.99 110.301 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.69 129.67 13.84 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.624 1.328 . . . . 99.99 110.383 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.37 159.18 47.2 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 123.465 1.245 . . . . 99.99 110.393 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.86 -15.93 12.35 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.062 -1.215 . . . . 99.99 110.062 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -30.74 70.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.042 -1.269 . . . . 99.99 110.616 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 79.3 m -73.12 -35.86 66.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.207 -0.933 . . . . 99.99 110.721 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -80.84 -23.36 39.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.216 -0.928 . . . . 99.99 110.643 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.83 -42.15 18.2 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.14 -0.975 . . . . 99.99 110.779 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -68.68 -51.22 44.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.201 -0.937 . . . . 99.99 110.938 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 12' ' ' THR . 2.1 mp0 -62.26 -39.69 93.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.072 -1.017 . . . . 99.99 109.616 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.403 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -56.49 -28.71 56.25 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.223 -1.951 . . . . 99.99 108.223 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.414 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 6.6 t80 -82.28 -47.76 12.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.769 -0.842 . . . . 99.99 109.485 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.423 ' CG2' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -55.05 -26.84 40.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.327 -0.858 . . . . 99.99 109.458 179.305 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -77.81 -76.28 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.529 -0.732 . . . . 99.99 110.808 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 9.6 pt-20 -47.34 -44.83 24.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.285 -0.884 . . . . 99.99 111.17 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.2 t -54.57 -51.02 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.918 -1.113 . . . . 99.99 109.755 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.21 -12.53 61.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 99.99 110.402 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -70.04 0.74 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 99.99 110.469 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -27.75 15.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.14 -0.975 . . . . 99.99 110.185 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.16 59.27 16.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.926 . . . . 99.99 110.382 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.75 147.07 49.81 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.703 1.37 . . . . 99.99 110.402 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.3 -21.97 34.86 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 O-C-N 123.698 1.367 . . . . 99.99 110.621 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.58 114.53 18.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.145 -0.972 . . . . 99.99 110.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -75.35 -51.07 14.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -0.82 . . . . 99.99 109.492 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.1 t -52.17 -49.4 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 99.99 109.576 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -66.82 -36.31 82.08 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.758 -0.589 . . . . 99.99 109.965 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 27' ' ' PRO . 91.3 t80 -65.95 -34.69 78.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 99.99 109.725 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -68.26 -37.15 80.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 99.99 109.945 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.4 ' O ' ' HB ' ' A' ' 39' ' ' THR . 78.3 t -70.09 -27.43 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.27 -0.894 . . . . 99.99 110.047 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.52 -34.24 27.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.223 -0.923 . . . . 99.99 110.4 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 87.5 t80 -75.27 -60.47 2.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.132 -0.98 . . . . 99.99 110.17 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -55.13 -43.81 74.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 99.99 110.271 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 23.6 m -61.64 -36.96 82.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.078 -1.014 . . . . 99.99 109.722 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -28.27 68.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.266 -0.896 . . . . 99.99 109.602 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.49 -34.33 67.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 99.99 109.969 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -27.31 56.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 99.99 109.731 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.15 -49.11 5.9 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 99.99 109.928 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.27 32.36 8.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.389 -0.819 . . . . 99.99 110.236 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 74.63 1.19 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 99.99 110.253 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.037 -0.983 . . . . 99.99 110.367 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.251 0.548 . . . . 99.99 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 49.8 mtt -75.66 -167.92 0.77 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 99.99 109.919 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.32 123.46 2.63 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.525 -1.43 . . . . 99.99 109.525 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -105.76 129.99 53.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.288 -1.125 . . . . 99.99 110.286 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 48.9 mm -129.21 74.09 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.868 . . . . 99.99 110.169 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -100.05 38.01 1.55 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 99.99 109.927 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.437 ' CG2' ' HD2' ' B' ' 8' ' ' PRO . 7.4 mt -141.8 143.73 30.0 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.357 -0.839 . . . . 99.99 110.369 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' B' ' 7' ' ' ILE . 46.5 Cg_endo -72.72 137.19 26.88 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.65 1.342 . . . . 99.99 110.58 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.61 164.29 34.1 Favored 'Trans proline' 0 C--N 1.312 -1.391 0 O-C-N 123.567 1.298 . . . . 99.99 110.157 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.48 -37.8 3.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.574 -1.41 . . . . 99.99 109.574 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -56.25 -49.29 74.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.268 -1.136 . . . . 99.99 110.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.8 m -60.05 -47.24 86.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.105 -0.997 . . . . 99.99 110.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.73 -30.42 68.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 99.99 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.89 -41.57 74.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.161 -0.962 . . . . 99.99 110.332 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.31 -45.69 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 99.99 110.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -36.92 67.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.194 -0.941 . . . . 99.99 109.752 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.49 -48.35 74.43 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 108.996 -1.641 . . . . 99.99 108.996 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.414 ' O ' ' CG2' ' B' ' 22' ' ' VAL . 41.3 t80 -59.78 -53.46 57.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -1.107 . . . . 99.99 109.83 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.4 ' CG2' ' CG2' ' C' ' 18' ' ' VAL . 85.0 m -51.14 -36.51 41.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.319 -0.863 . . . . 99.99 110.366 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.87 -74.93 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.226 -0.921 . . . . 99.99 110.313 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.412 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 7.4 pt-20 -45.4 -38.9 6.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.385 -0.822 . . . . 99.99 110.977 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' B' ' 18' ' ' TYR . 43.7 t -54.34 -46.42 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 99.99 110.083 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.63 -27.04 66.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.089 -1.007 . . . . 99.99 110.256 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.18 -66.88 0.83 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.892 . . . . 99.99 110.194 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.42 ' O ' ' HD3' ' B' ' 27' ' ' PRO . 0.5 OUTLIER -84.91 55.78 3.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.892 . . . . 99.99 110.387 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -36.13 96.31 0.1 Allowed Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 122.037 -0.414 . . . . 99.99 111.782 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' B' ' 25' ' ' GLN . 49.9 Cg_endo -79.75 169.55 18.04 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.897 1.472 . . . . 99.99 110.384 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.38 -35.68 7.96 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.69 1.363 . . . . 99.99 110.02 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -154.69 118.3 4.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -0.839 . . . . 99.99 110.006 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mp -53.84 -27.6 30.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.881 . . . . 99.99 110.049 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -52.68 -50.7 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.487 -0.758 . . . . 99.99 109.72 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.3 -50.11 29.47 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.579 -0.701 . . . . 99.99 109.917 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -54.88 -53.04 60.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 99.99 109.508 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.34 -39.13 21.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.515 -0.741 . . . . 99.99 110.42 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.4 -32.36 18.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.144 -0.973 . . . . 99.99 109.96 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -25.73 40.09 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 99.99 109.623 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.412 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 65.5 t80 -80.26 -64.2 1.24 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 99.99 110.638 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -54.77 -44.98 74.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.178 -0.951 . . . . 99.99 110.589 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 34.0 m -56.27 -46.49 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.031 -1.043 . . . . 99.99 110.141 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -25.32 65.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.175 -0.953 . . . . 99.99 110.132 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.71 -31.73 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.21 -0.931 . . . . 99.99 110.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -54.37 -27.37 35.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.917 . . . . 99.99 109.95 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.72 -64.09 1.2 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 99.99 110.01 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 49.43 35.71 8.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.363 -0.836 . . . . 99.99 110.627 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.2 79.63 0.12 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.132 -0.98 . . . . 99.99 110.249 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.071 -0.966 . . . . 99.99 110.124 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.189 0.518 . . . . 99.99 110.299 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.94 -24.71 12.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.15 -0.969 . . . . 99.99 110.441 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.91 -56.5 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.05 -1.031 . . . . 99.99 109.949 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.61 -16.89 28.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 99.99 110.167 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -86.31 -49.27 7.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.202 -0.937 . . . . 99.99 109.551 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.13 77.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.244 -0.91 . . . . 99.99 109.419 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 19' ' ' THR . . . -77.8 -21.74 51.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.298 -0.876 . . . . 99.99 109.267 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -40.16 76.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.107 -0.996 . . . . 99.99 108.9 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -36.8 80.04 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.38 -0.825 . . . . 99.99 109.24 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' C' ' 7' ' ' ALA . 5.5 mm -54.19 -44.67 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.364 -0.835 . . . . 99.99 108.886 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.63 -45.04 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.311 -0.868 . . . . 99.99 109.765 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.71 -36.07 81.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 99.99 110.773 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.52 -18.33 41.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 99.99 111.007 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 75.2 t -91.65 -24.42 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.952 -1.092 . . . . 99.99 109.769 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' C' ' 19' ' ' LYS . 52.8 mt -85.3 -24.12 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.292 -0.88 . . . . 99.99 109.43 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -72.46 -20.37 61.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 99.99 110.409 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.94 -31.43 6.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 99.99 110.804 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.408 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 42.0 t -93.1 -13.44 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.067 -1.021 . . . . 99.99 110.761 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' C' ' 15' ' ' ILE . 0.0 OUTLIER -111.39 -37.29 5.3 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.946 -1.096 . . . . 99.99 110.425 -179.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.52 -19.28 60.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -0.876 . . . . 99.99 110.471 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.69 -28.72 67.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.145 -0.972 . . . . 99.99 110.252 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.81 -90.07 1.27 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.432 -1.467 . . . . 99.99 109.432 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.31 46.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -1.134 . . . . 99.99 109.986 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.975 -1.012 . . . . 99.99 110.215 -179.88 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.21 0.528 . . . . 99.99 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -63.19 -26.43 68.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.307 -0.87 . . . . 99.99 110.196 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.57 -133.13 8.23 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.664 -1.374 . . . . 99.99 109.664 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -146.06 30.22 1.06 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -1.173 . . . . 99.99 110.206 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -111.72 147.7 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.176 -0.952 . . . . 99.99 110.264 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.5 98.58 0.8 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.119 -0.988 . . . . 99.99 110.667 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp -107.34 106.12 57.56 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.353 -0.842 . . . . 99.99 109.573 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.24 112.78 3.41 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.583 1.307 . . . . 99.99 110.811 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -80.28 178.06 7.53 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.535 1.281 . . . . 99.99 110.137 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.48 9.39 11.51 Favored Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.867 -1.158 . . . . 99.99 110.372 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.78 0.86 57.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.942 -1.329 . . . . 99.99 110.685 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m -80.38 -68.6 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.008 -1.057 . . . . 99.99 110.555 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -26.52 10.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -0.83 . . . . 99.99 110.449 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.7 mt -75.68 -37.08 59.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.873 . . . . 99.99 110.354 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.83 -55.91 4.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 99.99 110.513 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -47.26 55.84 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 99.99 110.094 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -56.56 -50.55 62.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.864 -1.695 . . . . 99.99 108.864 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.413 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 12.5 t80 -53.03 -43.95 66.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.476 -1.014 . . . . 99.99 109.806 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.431 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -58.59 -33.27 69.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 99.99 110.282 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.39 -27.0 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 99.99 110.878 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 1.8 mt-10 -77.32 -52.68 8.77 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.904 -1.123 . . . . 99.99 109.002 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.5 -34.38 50.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.764 -0.585 . . . . 99.99 110.265 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -73.04 -36.12 66.87 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 99.99 110.522 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.37 -50.17 8.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.17 -0.956 . . . . 99.99 110.349 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -41.04 72.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 99.99 110.346 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 52.31 63.86 8.35 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.361 -0.837 . . . . 99.99 110.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.45 159.69 50.72 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.749 1.394 . . . . 99.99 110.613 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.97 -23.92 24.73 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.704 1.371 . . . . 99.99 110.352 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -141.22 114.95 9.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.925 . . . . 99.99 110.141 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.18 -31.53 71.14 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -0.908 . . . . 99.99 110.155 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.97 -60.85 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.136 -0.978 . . . . 99.99 109.865 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.53 -43.57 93.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.649 -0.657 . . . . 99.99 109.964 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 99.99 109.928 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.48 -41.32 80.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 99.99 109.555 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.1 t -75.88 -36.63 32.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.384 -0.822 . . . . 99.99 109.819 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.11 64.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.23 -0.919 . . . . 99.99 109.657 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -73.15 -64.26 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 99.99 109.959 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.97 -51.72 55.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.236 -0.915 . . . . 99.99 110.293 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -54.59 -36.58 64.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.168 -0.957 . . . . 99.99 109.783 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -70.76 -33.37 70.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 99.99 109.691 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -23.97 67.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.361 -0.837 . . . . 99.99 109.957 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -66.54 -38.55 87.4 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.408 -0.808 . . . . 99.99 109.715 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.01 -24.43 58.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.837 . . . . 99.99 110.049 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.03 64.48 0.72 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.915 . . . . 99.99 110.25 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 146.42 54.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.211 -0.93 . . . . 99.99 110.021 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.045 -0.978 . . . . 99.99 110.215 -179.829 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.285 0.564 . . . . 99.99 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.9 ttt -109.52 74.3 0.89 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 99.99 110.335 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.67 129.36 1.34 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.712 -1.355 . . . . 99.99 109.712 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -128.04 176.09 7.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -1.166 . . . . 99.99 110.206 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mp -106.63 94.02 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.913 . . . . 99.99 110.04 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -102.51 57.77 0.79 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.256 -0.903 . . . . 99.99 109.958 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm -118.63 132.09 24.0 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.28 -0.887 . . . . 99.99 110.202 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.11 115.44 4.32 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.525 1.276 . . . . 99.99 110.397 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.06 179.15 6.03 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 O-C-N 123.454 1.239 . . . . 99.99 110.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.98 -27.32 16.92 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.662 -1.375 . . . . 99.99 109.662 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.08 68.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -1.147 . . . . 99.99 110.249 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.6 m -71.56 -33.17 68.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 99.99 110.212 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.74 -63.39 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.949 . . . . 99.99 110.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.25 -29.64 15.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 99.99 110.379 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -53.38 11.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.9 . . . . 99.99 110.44 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -49.14 50.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.038 -1.039 . . . . 99.99 110.263 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.1 -47.52 66.81 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.137 -1.585 . . . . 99.99 109.137 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.426 ' O ' ' CG2' ' B' ' 22' ' ' VAL . 9.3 t80 -55.23 -53.48 55.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 99.99 109.69 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -47.73 -43.37 26.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.85 . . . . 99.99 110.53 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.57 -74.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.368 -0.833 . . . . 99.99 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 10.7 pt-20 -45.53 -39.52 7.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.458 -0.776 . . . . 99.99 111.149 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' B' ' 18' ' ' TYR . 63.6 t -52.93 -37.79 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.924 -1.11 . . . . 99.99 109.809 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' C' ' 18' ' ' VAL . 5.1 mt -84.0 -50.76 7.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 99.99 110.155 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -65.18 0.71 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 99.99 110.229 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -54.48 -36.11 63.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.249 -0.907 . . . . 99.99 110.339 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.406 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.0 tt0 51.92 55.57 15.36 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.937 . . . . 99.99 110.168 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 43.9 Cg_endo -69.97 153.79 67.6 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.698 1.367 . . . . 99.99 110.624 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.8 -37.99 6.04 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.727 1.382 . . . . 99.99 110.413 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -116.58 117.02 28.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.282 -0.886 . . . . 99.99 110.296 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.425 ' CD1' ' OH ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -72.01 -41.44 67.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 99.99 109.66 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.26 -64.85 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 99.99 109.693 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -33.99 61.07 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.563 -0.711 . . . . 99.99 109.795 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.4 -45.99 85.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 99.99 109.515 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.74 -37.36 50.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.416 -0.802 . . . . 99.99 110.245 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.95 -53.48 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.292 -0.88 . . . . 99.99 110.439 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.44 -49.78 54.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 99.99 110.909 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -59.79 -71.36 0.13 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.095 -1.003 . . . . 99.99 110.512 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.28 -48.21 46.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.298 -0.876 . . . . 99.99 110.827 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.3 m -51.57 -41.6 61.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.063 -1.023 . . . . 99.99 110.055 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.54 -33.43 75.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.179 -0.95 . . . . 99.99 109.897 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.15 -24.6 37.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 99.99 110.051 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -30.59 68.8 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 99.99 109.233 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -90.18 -52.56 4.88 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.399 -0.813 . . . . 99.99 109.48 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 49.29 79.11 0.08 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.462 -0.774 . . . . 99.99 110.527 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -25.89 33.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 99.99 110.224 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.001 -0.999 . . . . 99.99 110.174 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.263 0.554 . . . . 99.99 110.217 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.15 -46.13 74.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 99.99 110.392 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 30.1 mt -62.69 -42.92 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.235 -0.916 . . . . 99.99 110.202 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.57 -13.19 58.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 99.99 110.336 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.88 -47.59 8.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -1.0 . . . . 99.99 109.986 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.06 -28.26 57.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 99.99 109.996 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.431 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -76.58 -35.96 57.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.118 -0.989 . . . . 99.99 109.77 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 20.6 p -69.25 -29.48 67.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 99.99 109.636 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -38.76 32.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.329 -0.857 . . . . 99.99 109.874 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -34.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 99.99 109.222 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 94.9 t -72.32 -44.34 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 99.99 110.031 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.43 -28.6 20.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.419 -0.801 . . . . 99.99 110.965 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.87 -44.29 18.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.086 -1.009 . . . . 99.99 110.333 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.11 -33.84 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 99.99 109.625 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 33.5 mm -70.09 -39.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.379 -0.826 . . . . 99.99 109.717 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.37 -25.76 65.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.274 -0.891 . . . . 99.99 110.103 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -78.93 -36.57 41.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.194 -0.941 . . . . 99.99 109.971 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' B' ' 23' ' ' LEU . 52.9 t -67.42 -11.03 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.931 . . . . 99.99 110.586 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 9.9 7.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.14 -0.975 . . . . 99.99 110.725 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.48 -13.74 58.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.041 -1.037 . . . . 99.99 110.557 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.88 -73.31 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.143 -0.973 . . . . 99.99 110.556 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.47 52.89 3.4 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.462 -1.455 . . . . 99.99 109.462 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.55 43.67 1.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -1.145 . . . . 99.99 110.222 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 117.96 -1.019 . . . . 99.99 110.275 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.204 0.526 . . . . 99.99 110.16 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 tpt -174.44 -37.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.893 . . . . 99.99 110.463 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.93 117.19 0.58 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.559 -1.417 . . . . 99.99 109.559 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.5 28.51 8.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.28 -1.129 . . . . 99.99 110.279 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.8 tt -119.7 52.44 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 99.99 110.205 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -123.27 -154.45 0.6 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 99.99 110.315 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.58 123.9 72.04 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 99.99 109.961 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.53 122.81 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.465 1.245 . . . . 99.99 110.801 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.25 176.59 9.4 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 123.495 1.26 . . . . 99.99 110.367 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.05 -30.97 5.85 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.716 -1.353 . . . . 99.99 109.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' HG ' ' CD1' ' A' ' 15' ' ' LEU . 19.5 tp -61.97 -17.87 58.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.271 -1.135 . . . . 99.99 110.458 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 m -71.81 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.165 -0.959 . . . . 99.99 110.53 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -27.51 68.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.356 -0.84 . . . . 99.99 110.711 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.31 -55.61 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.106 -0.996 . . . . 99.99 110.485 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 54.5 mt -61.13 -43.18 99.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.2 -0.937 . . . . 99.99 110.49 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 99.99 110.044 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.52 -48.78 68.33 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.056 -1.617 . . . . 99.99 109.056 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -55.85 -34.97 65.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -1.082 . . . . 99.99 109.659 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.42 ' CG2' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.35 -30.7 67.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.39 -0.818 . . . . 99.99 109.936 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.7 t -75.7 -20.26 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 99.99 110.433 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.61 -58.65 2.06 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.171 -0.956 . . . . 99.99 109.349 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -50.63 -29.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.626 -0.671 . . . . 99.99 110.36 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -90.21 -38.73 13.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 99.99 110.334 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.69 -51.51 11.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 99.99 110.507 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -73.34 -28.42 62.05 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.183 -0.948 . . . . 99.99 110.066 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.5 58.23 16.28 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 99.99 110.166 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.17 149.31 64.12 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.695 1.366 . . . . 99.99 110.674 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.32 -23.35 24.17 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.778 1.409 . . . . 99.99 110.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 5.4 p-10 -127.37 125.36 40.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 99.99 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -51.01 5.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 99.99 110.216 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -48.86 -63.36 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.362 -0.837 . . . . 99.99 110.214 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -57.94 -34.5 69.95 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.456 -0.777 . . . . 99.99 109.975 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 51.6 t80 -68.32 -43.91 76.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 99.99 109.582 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.65 -30.92 65.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 99.99 109.732 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.3 t -70.74 -50.68 42.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.316 -0.865 . . . . 99.99 109.975 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.9 -39.69 74.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -0.854 . . . . 99.99 110.561 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -68.5 -68.07 0.42 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.239 -0.913 . . . . 99.99 110.666 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.11 -48.95 64.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 99.99 110.695 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.8 m -50.73 -38.73 49.11 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 99.99 110.328 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -36.93 56.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 99.99 109.943 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.66 61.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 99.99 109.688 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -36.63 77.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.32 -0.863 . . . . 99.99 109.724 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.73 -50.15 7.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.444 -0.785 . . . . 99.99 110.057 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.41 48.3 22.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.369 -0.832 . . . . 99.99 110.379 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.06 157.51 43.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -0.889 . . . . 99.99 110.224 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.949 -1.024 . . . . 99.99 110.225 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.255 0.55 . . . . 99.99 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.31 76.85 1.51 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 99.99 110.204 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.26 79.39 0.1 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.607 -1.397 . . . . 99.99 109.607 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.67 17.6 12.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.321 -1.106 . . . . 99.99 110.408 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 50.5 mm -105.06 137.63 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.157 -0.964 . . . . 99.99 110.172 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.403 ' O ' ' CG ' ' B' ' 6' ' ' GLN . 1.0 OUTLIER -159.1 79.29 0.76 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 99.99 110.203 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.81 122.11 69.45 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.176 -0.953 . . . . 99.99 110.113 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.79 116.32 4.51 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.506 1.266 . . . . 99.99 110.259 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.01 -177.34 2.23 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 O-C-N 123.486 1.256 . . . . 99.99 110.605 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.78 -24.82 24.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.453 -1.459 . . . . 99.99 109.453 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.06 -44.78 68.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -1.137 . . . . 99.99 110.151 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -57.58 -41.44 81.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 99.99 110.527 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.41 -51.49 51.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.227 -0.921 . . . . 99.99 110.643 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.4 -42.19 81.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.898 . . . . 99.99 110.818 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.1 -37.57 78.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.067 -1.021 . . . . 99.99 110.639 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -53.89 51.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.13 -0.981 . . . . 99.99 110.162 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.28 95.65 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.246 -1.542 . . . . 99.99 109.246 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.08 -50.64 65.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.324 -1.104 . . . . 99.99 109.98 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 45.4 m -51.68 -33.65 34.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 99.99 110.123 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 42.1 t -65.77 -70.81 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 99.99 110.044 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' B' ' 37' ' ' TYR . 9.9 pt-20 -45.25 -38.3 5.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 99.99 111.002 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' B' ' 21' ' ' GLU . 42.2 t -54.95 -43.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.048 -1.032 . . . . 99.99 109.624 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' C' ' 18' ' ' VAL . 7.3 mt -75.57 -40.29 56.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 99.99 110.066 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -43.06 96.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 99.99 110.233 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.422 ' O ' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -114.06 60.94 0.66 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 99.99 110.264 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -38.05 96.13 0.11 Allowed Pre-proline 0 N--CA 1.502 2.151 0 O-C-N 121.948 -0.47 . . . . 99.99 111.436 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' B' ' 25' ' ' GLN . 49.8 Cg_endo -87.74 157.88 7.58 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.978 1.515 . . . . 99.99 110.517 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.96 -39.78 3.94 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.599 1.315 . . . . 99.99 110.038 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.97 119.82 23.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.867 . . . . 99.99 109.91 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -26.28 59.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 99.99 110.352 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.17 -60.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.156 -0.965 . . . . 99.99 109.831 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.1 -45.21 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.631 -0.668 . . . . 99.99 110.254 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.51 -50.23 73.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.236 -0.915 . . . . 99.99 109.697 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.94 -36.21 26.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.342 -0.849 . . . . 99.99 110.354 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -71.73 -45.73 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.187 -0.946 . . . . 99.99 110.169 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.66 -38.61 85.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 99.99 110.61 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.468 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 52.5 t80 -70.27 -69.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.186 -0.947 . . . . 99.99 110.416 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -49.1 -45.27 43.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.257 -0.902 . . . . 99.99 110.673 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -57.92 -41.79 83.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 99.99 110.033 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.88 44.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 99.99 110.197 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 tp -70.47 -21.69 62.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 99.99 110.305 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.51 47.93 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.166 -0.959 . . . . 99.99 109.954 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -106.51 7.23 30.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 99.99 110.632 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -111.27 -82.06 0.58 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.995 -1.066 . . . . 99.99 110.179 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -43.19 26.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.007 . . . . 99.99 110.094 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.068 -0.967 . . . . 99.99 110.303 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.325 0.583 . . . . 99.99 110.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.46 11.45 36.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 99.99 110.563 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 mt -72.19 -42.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.029 -1.045 . . . . 99.99 110.182 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.92 -20.53 16.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.933 . . . . 99.99 110.172 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -94.28 -47.33 6.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 99.99 109.732 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.71 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.314 -0.866 . . . . 99.99 109.839 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.42 ' HB1' ' CG2' ' A' ' 19' ' ' THR . . . -75.49 -31.56 60.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.966 . . . . 99.99 109.305 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 45.6 t -64.88 -28.45 69.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 99.99 109.945 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -78.6 -39.91 36.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.99 . . . . 99.99 110.281 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -33.44 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 99.99 109.501 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . 0.435 ' O ' ' CG2' ' C' ' 15' ' ' ILE . 85.7 t -72.48 -43.62 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.56 -0.712 . . . . 99.99 109.982 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -52.74 -34.91 54.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 99.99 111.177 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.21 35.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 99.99 110.718 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.37 -34.44 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 99.99 110.006 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' C' ' 11' ' ' VAL . 2.6 tp -76.9 -21.08 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 99.99 110.14 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.26 -20.45 59.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 99.99 110.282 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -102.85 -20.52 14.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 99.99 110.611 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' C' ' 19' ' ' LYS . 5.1 p -79.21 -42.84 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 99.99 110.192 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.472 ' N ' ' CG1' ' C' ' 18' ' ' VAL . 0.1 OUTLIER -80.65 -32.45 36.14 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.392 -0.818 . . . . 99.99 110.31 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.28 63.55 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.288 -0.883 . . . . 99.99 110.402 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.98 -76.51 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.156 -0.965 . . . . 99.99 110.391 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.68 9.94 51.39 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.959 -1.257 . . . . 99.99 109.959 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . 51.01 47.22 25.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.964 -1.315 . . . . 99.99 110.478 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.053 -0.975 . . . . 99.99 110.151 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.175 0.512 . . . . 99.99 110.179 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -129.79 -66.4 0.79 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -0.946 . . . . 99.99 110.472 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.3 48.47 0.13 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.479 -1.448 . . . . 99.99 109.479 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -116.68 91.95 3.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.375 -1.074 . . . . 99.99 110.068 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 5.2 mp -130.77 85.08 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.136 -0.977 . . . . 99.99 110.669 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.56 21.69 14.29 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.306 -0.872 . . . . 99.99 110.084 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mp -146.04 90.35 5.81 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.569 -0.707 . . . . 99.99 109.589 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.28 111.75 2.99 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.601 1.316 . . . . 99.99 110.94 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.51 -163.02 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.296 0 O-C-N 123.689 1.363 . . . . 99.99 110.266 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.82 -39.91 2.98 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.75 -1.34 . . . . 99.99 109.75 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 tp -54.23 -25.98 26.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -1.206 . . . . 99.99 110.177 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -56.68 -62.74 1.52 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.217 -0.927 . . . . 99.99 110.192 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.17 -47.38 81.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.912 . . . . 99.99 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -39.64 70.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 99.99 110.371 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mp -73.95 -56.11 5.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 99.99 110.493 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -43.81 66.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 99.99 109.989 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.47 78.52 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.85 -1.7 . . . . 99.99 108.85 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.413 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 8.6 t80 -67.26 -49.18 65.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.555 -0.968 . . . . 99.99 109.783 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -51.85 -34.99 43.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 99.99 110.105 179.574 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -70.34 -74.48 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.387 -0.821 . . . . 99.99 110.579 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -43.96 -44.14 7.01 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.546 -0.721 . . . . 99.99 111.52 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 18' ' ' TYR . 97.7 t -53.85 -46.04 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.936 -1.103 . . . . 99.99 110.194 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -17.48 49.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.242 -0.911 . . . . 99.99 110.459 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -88.7 -59.05 2.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 99.99 110.622 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.33 -28.17 61.92 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.19 -0.944 . . . . 99.99 110.146 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 51.65 68.87 2.86 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 99.99 110.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.41 164.7 34.84 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.699 1.368 . . . . 99.99 110.872 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.47 -39.4 5.19 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.804 1.423 . . . . 99.99 110.355 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -134.8 129.09 34.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 99.99 110.13 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.1 -40.3 65.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 99.99 110.153 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -50.65 -63.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 99.99 110.06 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.54 -35.16 73.67 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.497 -0.752 . . . . 99.99 110.134 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.18 -46.82 76.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.205 -0.934 . . . . 99.99 109.58 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.07 -37.68 61.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.804 . . . . 99.99 110.24 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -69.38 -51.27 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 99.99 110.198 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.9 -44.65 82.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 99.99 110.733 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -62.86 -58.37 7.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.169 -0.957 . . . . 99.99 110.886 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -64.78 -43.88 91.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.184 -0.948 . . . . 99.99 110.973 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.7 m -56.37 -24.96 47.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.98 -1.075 . . . . 99.99 110.319 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.81 26.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 99.99 110.525 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -26.84 59.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.209 -0.932 . . . . 99.99 110.257 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -71.15 -25.42 62.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.189 -0.944 . . . . 99.99 109.434 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -92.35 -51.6 5.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 99.99 110.062 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.56 84.17 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.425 -0.797 . . . . 99.99 110.592 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.03 48.27 0.85 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.174 -0.954 . . . . 99.99 110.214 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.971 -1.014 . . . . 99.99 110.162 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 66.6 t60 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.23 0.538 . . . . 99.99 110.156 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -45.88 0.15 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 99.99 110.131 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.95 -174.68 0.1 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.638 -1.385 . . . . 99.99 109.638 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -134.05 113.93 12.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -1.165 . . . . 99.99 110.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -139.69 147.23 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 99.99 109.977 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.72 95.95 0.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.108 -0.995 . . . . 99.99 110.911 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -87.71 144.55 35.36 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.297 -0.877 . . . . 99.99 109.331 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.79 125.08 12.18 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.626 1.329 . . . . 99.99 110.565 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.78 169.98 21.1 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.494 1.26 . . . . 99.99 110.365 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.86 -24.41 26.49 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.672 -1.371 . . . . 99.99 109.672 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.02 -35.45 76.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -1.155 . . . . 99.99 110.195 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -71.74 -34.01 69.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 99.99 110.132 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -65.25 -61.07 2.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 99.99 110.051 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.3 -40.19 58.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 99.99 110.226 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -49.06 78.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 99.99 110.191 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CA ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -49.42 -35.6 19.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.167 -0.958 . . . . 99.99 110.111 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.64 99.49 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.706 -1.758 . . . . 99.99 108.706 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' B' ' 22' ' ' VAL . 9.2 t80 -68.46 -54.33 17.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.42 -1.047 . . . . 99.99 109.971 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 38.0 m -47.97 -33.26 7.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.365 -0.834 . . . . 99.99 110.257 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.16 -72.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 99.99 109.726 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.59 -41.05 29.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.239 -0.913 . . . . 99.99 110.624 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' B' ' 18' ' ' TYR . 64.0 t -56.29 -44.41 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 99.99 109.838 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.35 -30.07 33.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.359 -0.838 . . . . 99.99 110.16 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -61.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 99.99 110.167 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.12 -28.44 61.35 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.34 -0.85 . . . . 99.99 109.696 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 50.53 62.71 11.17 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 99.99 110.45 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.68 162.71 41.56 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.806 1.424 . . . . 99.99 110.61 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.88 -28.61 16.3 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.598 1.315 . . . . 99.99 110.681 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 33.0 p-10 -138.06 138.37 38.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 99.99 110.715 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -89.99 -33.32 16.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.258 -0.902 . . . . 99.99 109.946 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 t -52.6 -63.64 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.457 -0.777 . . . . 99.99 109.976 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.4 -42.66 99.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.402 -0.811 . . . . 99.99 109.931 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -59.35 -53.67 55.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 99.99 109.646 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.406 ' HB2' ' CZ ' ' B' ' 18' ' ' TYR . . . -50.94 -40.69 57.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.394 -0.816 . . . . 99.99 110.354 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.91 -47.4 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.936 . . . . 99.99 110.062 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.02 -31.17 72.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 99.99 110.146 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -74.39 -58.75 3.09 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.931 . . . . 99.99 110.023 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.39 -50.22 73.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 99.99 110.48 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.5 m -49.52 -44.95 46.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.163 -0.961 . . . . 99.99 110.507 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -64.61 -26.5 68.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.167 -0.958 . . . . 99.99 110.032 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -38.02 80.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.219 -0.925 . . . . 99.99 110.224 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -18.42 59.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 99.99 110.502 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -112.47 -46.48 3.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 99.99 110.392 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.29 34.84 12.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.268 -0.895 . . . . 99.99 110.422 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -61.95 -58.72 6.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.241 -0.912 . . . . 99.99 110.42 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 117.937 -1.03 . . . . 99.99 110.239 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' C' ' 3' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.258 0.551 . . . . 99.99 110.268 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt 53.92 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 99.99 110.234 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' C' ' 1' ' ' ASP . 4.1 mt -57.57 -39.65 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.82 -1.175 . . . . 99.99 109.787 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.54 -20.67 21.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.376 -0.828 . . . . 99.99 110.236 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -94.76 -46.77 6.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 99.99 110.044 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -30.35 68.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.206 -0.934 . . . . 99.99 109.946 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -75.84 -21.38 57.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 99.99 109.82 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -42.07 49.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 99.99 109.913 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -67.52 -39.44 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.93 . . . . 99.99 110.068 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.1 OUTLIER -56.11 -45.32 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 99.99 109.403 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . 0.438 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 67.2 t -62.65 -28.43 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.157 -0.965 . . . . 99.99 109.973 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.97 -33.8 76.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 99.99 110.437 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . 0.412 ' O ' ' NE2' ' C' ' 17' ' ' GLN . . . -71.68 -40.54 69.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 99.99 110.437 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 38.9 t -67.44 -36.9 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.958 . . . . 99.99 109.959 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 51.9 mt -65.82 -29.47 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 99.99 109.907 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.02 -40.85 78.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.888 . . . . 99.99 110.192 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' C' ' 13' ' ' ALA . 0.0 OUTLIER -62.53 -49.06 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 99.99 110.227 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -57.55 -30.3 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 99.99 110.219 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -100.77 14.5 31.45 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.881 . . . . 99.99 110.582 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.64 -15.81 21.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.073 -1.017 . . . . 99.99 110.49 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.15 71.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.169 -0.957 . . . . 99.99 110.493 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.28 -83.21 0.34 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.645 -1.382 . . . . 99.99 109.645 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.13 80.88 0.84 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.265 -1.138 . . . . 99.99 110.22 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.954 -1.022 . . . . 99.99 110.29 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.253 0.549 . . . . 99.99 110.119 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -156.45 84.79 0.98 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.91 . . . . 99.99 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.66 -25.97 5.77 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.365 -1.494 . . . . 99.99 109.365 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -100.9 -158.19 0.66 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.316 -1.108 . . . . 99.99 110.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.69 139.74 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.158 -0.964 . . . . 99.99 110.374 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.36 -160.7 1.0 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.323 -0.861 . . . . 99.99 109.88 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mp -59.31 113.44 6.99 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.102 -0.999 . . . . 99.99 109.462 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.28 128.63 13.97 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.532 1.28 . . . . 99.99 110.701 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -79.14 168.83 19.94 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.578 1.304 . . . . 99.99 110.374 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.35 -18.98 46.97 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.091 -1.203 . . . . 99.99 110.091 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 tp -53.84 -32.78 54.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -1.21 . . . . 99.99 110.463 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.3 m -53.41 -57.56 10.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 99.99 110.292 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.31 -26.14 62.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 99.99 110.337 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.06 -55.94 5.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 99.99 110.332 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.27 -58.09 3.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 99.99 110.465 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -45.71 60.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.147 -0.971 . . . . 99.99 110.213 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.83 -38.75 65.49 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.814 -1.715 . . . . 99.99 108.814 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.434 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 10.5 t80 -63.86 -26.55 68.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -1.056 . . . . 99.99 109.506 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.453 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -77.56 -28.9 51.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.478 -0.764 . . . . 99.99 110.046 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.1 t -78.3 -22.08 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.837 . . . . 99.99 110.697 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -91.63 -53.31 4.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.096 -1.002 . . . . 99.99 109.341 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.12 -40.25 29.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.488 -0.757 . . . . 99.99 110.368 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -38.16 46.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.969 . . . . 99.99 110.042 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.24 -23.43 63.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.16 -0.962 . . . . 99.99 110.209 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 1.5 pt20 -142.41 66.06 1.34 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 99.99 110.343 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.76 98.09 0.15 Allowed Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.983 -0.448 . . . . 99.99 111.543 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 25' ' ' GLN . 47.5 Cg_endo -75.19 164.69 32.53 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.936 1.493 . . . . 99.99 110.442 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.17 -29.4 17.51 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.789 1.415 . . . . 99.99 110.354 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -148.67 123.9 10.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.912 . . . . 99.99 110.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.16 -39.45 82.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 99.99 109.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.3 t -52.52 -61.58 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.251 -0.906 . . . . 99.99 109.959 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -61.77 -35.53 78.4 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 99.99 110.15 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 90.3 t80 -68.28 -37.13 80.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.218 -0.926 . . . . 99.99 109.744 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.31 74.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.308 -0.87 . . . . 99.99 110.073 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.69 -50.97 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 O-C-N 121.238 -0.914 . . . . 99.99 110.339 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -37.13 65.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.831 . . . . 99.99 110.519 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -74.8 -63.39 1.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.174 -0.954 . . . . 99.99 110.465 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.408 ' HB3' ' CG2' ' B' ' 35' ' ' VAL . 3.4 m-85 -54.8 -43.06 72.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 99.99 110.544 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.1 m -59.54 -38.76 81.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.996 -1.065 . . . . 99.99 109.758 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.46 -27.54 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 99.99 109.838 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -33.17 72.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 99.99 109.889 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' CD ' ' OD1' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -68.13 -30.06 69.12 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.263 -0.898 . . . . 99.99 109.682 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.17 -25.97 64.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 99.99 109.908 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.52 18.47 12.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.329 -0.857 . . . . 99.99 110.332 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.27 87.09 0.6 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.277 -0.889 . . . . 99.99 110.141 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.014 -0.993 . . . . 99.99 110.251 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 40.7 m80 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.215 0.531 . . . . 99.99 110.175 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -57.02 113.09 1.54 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 99.99 110.267 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.73 130.82 40.14 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.506 -1.438 . . . . 99.99 109.506 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.42 -59.66 1.87 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.184 -1.186 . . . . 99.99 110.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 tp -109.9 85.17 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.915 . . . . 99.99 110.309 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -128.55 158.44 38.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.242 -0.912 . . . . 99.99 110.109 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.82 122.53 34.49 Favored Pre-proline 0 C--N 1.305 -1.344 0 O-C-N 121.21 -0.931 . . . . 99.99 110.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.4 142.67 37.43 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.589 1.31 . . . . 99.99 110.516 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.7 152.14 47.36 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.683 1.359 . . . . 99.99 110.345 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.15 -31.14 6.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.524 -1.43 . . . . 99.99 109.524 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.52 -37.14 62.52 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -1.176 . . . . 99.99 110.135 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -62.29 -51.07 69.15 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -0.914 . . . . 99.99 110.016 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.57 -43.19 97.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.381 -0.824 . . . . 99.99 109.962 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.57 -52.78 62.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 99.99 110.038 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.15 -40.8 94.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.242 -0.911 . . . . 99.99 110.067 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -43.76 67.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 99.99 109.957 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.65 -55.77 28.19 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.245 -1.542 . . . . 99.99 109.245 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' B' ' 22' ' ' VAL . 25.2 t80 -54.93 -43.02 72.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -1.167 . . . . 99.99 110.28 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 13.8 m -57.59 -52.34 65.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.87 . . . . 99.99 110.619 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.72 -23.99 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.188 -0.945 . . . . 99.99 110.356 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.83 -44.3 10.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.091 -1.006 . . . . 99.99 108.98 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' B' ' 18' ' ' TYR . 45.5 t -53.44 -24.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.782 -0.574 . . . . 99.99 110.19 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.77 -49.65 6.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 99.99 110.119 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -71.01 0.14 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.891 . . . . 99.99 110.442 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.168 -0.958 . . . . 99.99 110.681 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 54.28 63.25 7.68 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.119 -0.988 . . . . 99.99 109.729 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.66 159.36 51.19 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.592 1.312 . . . . 99.99 110.662 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.19 -26.64 20.89 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.818 1.43 . . . . 99.99 110.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -147.95 144.28 27.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 99.99 110.198 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 34' ' ' ALA . 0.8 OUTLIER -89.03 -23.76 22.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.254 -0.904 . . . . 99.99 110.287 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.8 t -53.7 -64.06 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.184 -0.947 . . . . 99.99 110.015 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 42' ' ' ARG . 7.8 t0 -64.33 -48.2 76.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.506 -0.746 . . . . 99.99 109.841 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.418 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 29.4 t80 -54.67 -52.04 63.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 99.99 109.778 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' B' ' 30' ' ' LEU . . . -50.22 -44.26 53.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.396 -0.815 . . . . 99.99 110.486 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 38' ' ' PHE . 97.0 t -62.78 -38.48 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 121.129 -0.982 . . . . 99.99 110.075 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -71.06 -29.63 65.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 99.99 110.341 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -73.28 -71.33 0.31 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 99.99 110.457 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -50.13 -50.09 49.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 99.99 110.611 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -51.67 -35.14 41.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.09 -1.007 . . . . 99.99 109.956 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.91 -43.49 68.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 99.99 109.952 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -39.14 71.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.295 -0.878 . . . . 99.99 110.083 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.424 ' NH2' ' O ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.02 -51.27 62.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.888 . . . . 99.99 110.169 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.13 -43.16 22.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.167 -0.958 . . . . 99.99 110.012 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' B' ' 46' ' ' ARG . . . 48.48 55.91 8.27 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.875 . . . . 99.99 110.545 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.5 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.364 -0.835 . . . . 99.99 110.68 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.021 -1.05 . . . . 99.99 110.306 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.2 0.524 . . . . 99.99 110.19 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.16 -24.01 19.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 99.99 110.169 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.97 -54.98 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -0.949 . . . . 99.99 110.072 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -13.09 58.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 99.99 110.418 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -96.46 -42.31 8.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.964 . . . . 99.99 109.734 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . 0.425 ' O ' ' CD1' ' C' ' 10' ' ' ILE . . . -70.35 -33.14 71.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 99.99 109.582 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.453 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -75.11 -24.49 58.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.945 . . . . 99.99 109.42 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -38.51 78.74 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.379 -0.826 . . . . 99.99 109.798 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -69.46 -36.79 76.93 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.153 -0.967 . . . . 99.99 109.668 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' C' ' 6' ' ' ALA . 1.2 mp -53.61 -44.8 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.281 -0.887 . . . . 99.99 108.75 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' C' ' 15' ' ' ILE . 98.7 t -59.37 -49.81 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.397 -0.814 . . . . 99.99 109.763 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.54 -31.71 71.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 99.99 110.784 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.01 -21.92 25.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 99.99 110.722 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.58 -27.08 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.025 -1.047 . . . . 99.99 109.635 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . 0.429 ' CG1' ' O ' ' C' ' 11' ' ' VAL . 2.0 pp -85.66 -24.91 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.295 -0.878 . . . . 99.99 109.762 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.97 -34.99 75.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 99.99 109.838 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.45 -41.13 18.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.322 -0.861 . . . . 99.99 109.916 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.84 -27.92 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 99.99 110.058 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -104.89 12.96 31.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.308 -0.87 . . . . 99.99 110.464 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.31 -25.32 8.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.087 -1.008 . . . . 99.99 110.234 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.97 79.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.248 -0.907 . . . . 99.99 110.069 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.28 -103.76 0.24 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.68 -1.368 . . . . 99.99 109.68 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.97 23.42 1.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -1.154 . . . . 99.99 110.321 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 117.992 -1.004 . . . . 99.99 110.198 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.208 0.528 . . . . 99.99 110.225 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -173.95 -173.05 0.78 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.34 -0.85 . . . . 99.99 110.347 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.95 -87.9 0.11 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.3 -1.52 . . . . 99.99 109.3 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 13.5 10.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -1.145 . . . . 99.99 110.431 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.7 OUTLIER -125.07 120.57 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.161 -0.962 . . . . 99.99 109.807 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.97 153.86 14.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.065 -1.022 . . . . 99.99 110.56 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -119.94 133.96 23.94 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 99.99 109.807 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.03 112.94 3.68 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.476 1.251 . . . . 99.99 110.752 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -82.35 173.66 10.53 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.549 1.289 . . . . 99.99 110.231 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.68 7.97 61.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.265 -1.134 . . . . 99.99 110.265 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.61 -34.08 25.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.902 -1.352 . . . . 99.99 109.946 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.5 m -53.92 -67.81 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -0.851 . . . . 99.99 110.498 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.01 -36.02 37.2 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 99.99 110.668 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.14 -55.55 10.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.086 -1.009 . . . . 99.99 110.421 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.0 -53.05 62.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 99.99 110.453 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -28.3 13.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 99.99 110.191 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.37 -49.22 66.86 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.203 -1.559 . . . . 99.99 109.203 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.435 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 12.3 t80 -58.43 -49.64 76.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -1.095 . . . . 99.99 109.809 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.414 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -48.11 -39.37 20.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.331 -0.855 . . . . 99.99 110.447 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.27 -77.26 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 99.99 110.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.48 -44.79 17.87 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.425 -0.797 . . . . 99.99 111.157 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 18' ' ' TYR . 65.3 t -53.2 -35.29 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 99.99 109.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.61 -25.91 28.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 99.99 110.083 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -60.1 2.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.83 . . . . 99.99 110.214 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.1 -31.69 63.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 99.99 110.166 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 50.41 58.68 17.07 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.264 -0.897 . . . . 99.99 110.337 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -71.55 156.47 57.86 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.717 1.377 . . . . 99.99 110.438 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.46 -14.51 30.83 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.652 1.343 . . . . 99.99 110.577 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.73 123.82 4.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 99.99 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mp -72.97 -29.42 63.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.216 -0.927 . . . . 99.99 109.992 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.447 ' CG1' ' CD ' ' B' ' 42' ' ' ARG . 20.0 t -56.18 -60.26 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.458 -0.776 . . . . 99.99 109.47 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.77 -44.28 86.28 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.476 -0.765 . . . . 99.99 109.532 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 31.5 t80 -57.69 -49.84 75.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.446 -0.784 . . . . 99.99 109.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.01 -38.73 62.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 99.99 109.963 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.27 -48.51 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.364 -0.835 . . . . 99.99 110.1 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.27 -24.35 67.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.193 -0.942 . . . . 99.99 110.533 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.2 -67.93 0.71 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.147 -0.97 . . . . 99.99 110.218 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -55.43 -47.41 76.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 99.99 110.474 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -53.22 -50.18 65.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.989 . . . . 99.99 110.212 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -64.57 -20.24 66.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.243 -0.911 . . . . 99.99 110.069 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.24 -47.79 80.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 99.99 109.996 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.77 -27.85 2.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.329 -0.857 . . . . 99.99 110.893 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.48 -24.05 24.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.2 -0.937 . . . . 99.99 110.355 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.33 51.03 1.28 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.28 -0.887 . . . . 99.99 110.154 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.86 -21.93 10.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.189 -0.944 . . . . 99.99 110.387 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.994 -1.003 . . . . 99.99 110.351 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 t60 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.326 0.584 . . . . 99.99 110.228 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.99 125.78 21.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.199 -0.938 . . . . 99.99 110.126 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.87 -138.34 3.66 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.572 -1.411 . . . . 99.99 109.572 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.83 35.26 4.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.307 -1.113 . . . . 99.99 110.206 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.37 61.25 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 99.99 110.203 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.07 -169.63 2.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.265 -0.897 . . . . 99.99 110.451 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.436 ' CG2' ' HD2' ' B' ' 8' ' ' PRO . 42.5 mm -131.97 144.35 52.84 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.371 -0.831 . . . . 99.99 109.942 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.436 ' HD2' ' CG2' ' B' ' 7' ' ' ILE . 44.5 Cg_endo -71.25 111.38 3.07 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.534 1.281 . . . . 99.99 110.441 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.21 179.41 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.54 1.284 . . . . 99.99 110.352 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.42 3.45 71.27 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.075 -1.21 . . . . 99.99 110.075 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.7 tp -87.64 -36.44 17.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.877 -1.366 . . . . 99.99 110.135 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 86.5 m -67.03 -35.57 80.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.231 -0.918 . . . . 99.99 110.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.05 -56.11 11.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 99.99 110.395 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -43.55 77.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 99.99 110.292 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.62 -42.03 92.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.884 . . . . 99.99 110.41 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.66 -36.92 57.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.925 -1.11 . . . . 99.99 109.754 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.53 -53.16 47.78 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.813 -1.715 . . . . 99.99 108.813 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.6 -40.2 86.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -1.097 . . . . 99.99 110.243 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.1 m -49.31 -62.93 1.27 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.224 -0.922 . . . . 99.99 109.544 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.94 -42.4 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.393 -0.966 . . . . 99.99 108.393 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' B' ' 37' ' ' TYR . 1.2 tt0 -51.56 -64.87 0.67 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.572 0.701 . . . . 99.99 110.862 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.09 -27.97 2.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.62 -0.675 . . . . 99.99 110.844 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' C' ' 18' ' ' VAL . 21.1 mt -84.6 -52.67 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.108 -0.995 . . . . 99.99 110.38 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -41.6 84.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 99.99 110.503 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.81 -36.72 19.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 99.99 110.316 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.4 tt0 51.96 54.47 14.26 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 99.99 110.124 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 49.5 Cg_endo -74.39 150.69 41.73 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.761 1.401 . . . . 99.99 110.597 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.81 -32.72 13.73 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.739 1.389 . . . . 99.99 110.329 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -116.56 120.44 38.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 99.99 110.131 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.49 -41.04 18.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 99.99 110.365 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.19 -66.05 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.242 -0.911 . . . . 99.99 109.906 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -38.17 71.09 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.396 -0.815 . . . . 99.99 109.702 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -62.76 -50.86 69.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.364 -0.835 . . . . 99.99 109.669 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.76 -37.77 68.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.321 -0.862 . . . . 99.99 110.09 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.38 -43.47 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.358 -0.839 . . . . 99.99 110.25 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.74 -32.85 73.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 99.99 110.673 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 41.1 t80 -75.71 -67.15 0.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.123 -0.985 . . . . 99.99 110.704 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.24 -48.41 62.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.167 -0.958 . . . . 99.99 110.413 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -52.38 -50.33 62.65 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.256 -0.902 . . . . 99.99 110.247 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -63.01 -31.2 72.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 99.99 110.214 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -42.72 67.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 99.99 109.939 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.447 ' CD ' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -52.0 -37.49 53.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.892 . . . . 99.99 110.366 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.8 -21.62 44.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 99.99 110.303 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.07 85.53 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.185 -0.947 . . . . 99.99 110.083 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -126.61 120.89 30.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 99.99 110.101 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.064 -0.969 . . . . 99.99 110.073 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 19.8 t0 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.166 0.507 . . . . 99.99 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mp -119.71 -29.71 4.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.257 -0.902 . . . . 99.99 110.374 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -74.43 -36.06 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 99.99 110.232 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -15.0 62.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.199 -0.938 . . . . 99.99 110.558 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.75 -41.89 7.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 99.99 109.996 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.05 63.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.28 -0.888 . . . . 99.99 109.788 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.414 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -78.53 -20.0 51.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 99.99 109.652 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -35.63 48.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 99.99 110.069 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -82.75 -43.57 16.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 99.99 110.08 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 12.3 tt -53.29 -42.05 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.1 -1.0 . . . . 99.99 109.603 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 87.8 t -64.82 -44.62 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 99.99 109.324 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.54 -42.81 44.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 99.99 110.381 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.4 91.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.246 -0.908 . . . . 99.99 110.108 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 40.9 t -71.72 -39.21 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 99.99 109.877 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' C' ' 15' ' ' ILE . 1.6 mp -75.49 -21.71 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.123 -0.985 . . . . 99.99 109.476 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 99.99 110.022 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -37.88 62.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 99.99 110.17 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.419 ' HA ' ' CD1' ' B' ' 23' ' ' LEU . 95.2 t -57.81 -48.31 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.373 -0.83 . . . . 99.99 110.076 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -79.99 -20.57 45.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.298 -0.876 . . . . 99.99 110.35 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.86 42.08 1.48 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.254 -0.904 . . . . 99.99 110.378 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.74 -40.53 1.73 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.172 -0.955 . . . . 99.99 110.174 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.69 105.95 0.6 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.501 -1.44 . . . . 99.99 109.501 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.25 -40.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -1.088 . . . . 99.99 110.259 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.034 -0.984 . . . . 99.99 110.286 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.7 m170 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.269 0.557 . . . . 99.99 110.173 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.1 mmt -99.22 168.74 9.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.932 . . . . 99.99 110.063 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.67 90.14 0.08 OUTLIER Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.64 -1.384 . . . . 99.99 109.64 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -101.66 41.89 1.17 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -1.148 . . . . 99.99 110.004 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 4.6 mp -122.92 142.92 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.24 -0.913 . . . . 99.99 110.288 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.75 58.43 1.31 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 99.99 109.661 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 tp -69.59 130.8 90.2 Favored Pre-proline 0 C--N 1.306 -1.303 0 O-C-N 121.343 -0.848 . . . . 99.99 110.386 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -76.15 122.78 6.83 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.539 1.284 . . . . 99.99 110.089 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.03 169.85 19.52 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.392 1.206 . . . . 99.99 110.321 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.04 -26.89 9.51 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.684 -1.367 . . . . 99.99 109.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -37.17 79.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -1.163 . . . . 99.99 110.387 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.1 m -56.31 -55.79 29.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.24 -0.913 . . . . 99.99 110.2 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -47.31 64.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.302 -0.874 . . . . 99.99 110.216 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.12 -50.54 72.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 99.99 110.126 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.16 -51.15 68.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 99.99 109.994 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.13 -41.91 60.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.246 -0.909 . . . . 99.99 110.188 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.04 -52.66 51.05 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.083 -1.607 . . . . 99.99 109.083 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -55.1 -25.36 30.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -1.113 . . . . 99.99 110.059 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.483 ' CG2' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.9 -38.36 73.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 99.99 110.349 -179.829 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 59.4 t -73.91 -17.95 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.12 -0.988 . . . . 99.99 110.602 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 1.2 mt-10 -89.88 -49.12 6.8 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.032 -1.043 . . . . 99.99 108.927 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.3 t -51.97 -33.5 16.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.597 -0.689 . . . . 99.99 110.109 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -44.42 11.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -0.901 . . . . 99.99 110.161 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -61.96 -55.49 28.86 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.196 -0.94 . . . . 99.99 110.153 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.44 -34.03 65.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.288 -0.882 . . . . 99.99 110.095 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 52.2 55.52 14.98 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 99.99 110.182 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 26' ' ' GLN . 44.8 Cg_endo -71.17 152.38 61.86 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.709 1.373 . . . . 99.99 110.446 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.35 -24.14 23.17 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.754 1.397 . . . . 99.99 110.337 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -128.94 122.05 29.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 99.99 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.84 -37.01 30.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.263 -0.898 . . . . 99.99 109.884 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -53.56 -64.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.335 -0.853 . . . . 99.99 109.762 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.5 -38.12 71.32 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.504 -0.747 . . . . 99.99 109.946 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.52 -48.79 76.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 99.99 109.947 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.14 -30.72 64.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.391 -0.818 . . . . 99.99 110.092 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.2 t -74.78 -36.67 40.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.242 -0.912 . . . . 99.99 110.39 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.48 -31.68 62.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.205 -0.934 . . . . 99.99 110.538 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 24.2 t80 -75.68 -66.71 0.75 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 99.99 110.51 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.54 -47.75 48.83 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.25 -0.906 . . . . 99.99 110.545 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.8 m -53.47 -42.44 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.078 -1.014 . . . . 99.99 109.921 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -68.6 -37.73 80.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.179 -0.951 . . . . 99.99 110.006 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.15 -24.8 67.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 99.99 110.158 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -69.94 -25.54 63.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.261 -0.899 . . . . 99.99 109.551 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.69 -39.95 5.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.352 -0.842 . . . . 99.99 109.83 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.86 45.48 27.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.416 -0.802 . . . . 99.99 110.39 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.13 80.31 0.11 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.256 -0.903 . . . . 99.99 110.232 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.98 -1.01 . . . . 99.99 110.226 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.304 0.573 . . . . 99.99 110.222 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -115.36 172.29 7.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 99.99 110.189 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.62 163.71 13.04 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.523 -1.431 . . . . 99.99 109.523 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -134.44 24.81 3.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.227 -1.161 . . . . 99.99 110.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mp -132.19 86.35 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.171 -0.955 . . . . 99.99 110.189 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.95 170.41 9.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.075 -1.016 . . . . 99.99 110.257 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -106.73 117.58 56.46 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 99.99 110.121 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.18 129.86 16.74 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.477 1.251 . . . . 99.99 110.335 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.03 174.36 12.11 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.514 1.271 . . . . 99.99 110.536 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.35 -27.49 13.8 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.679 -1.368 . . . . 99.99 109.679 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.43 -45.18 84.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.222 -1.163 . . . . 99.99 110.291 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.5 m -67.37 -36.07 80.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.18 -0.95 . . . . 99.99 110.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.56 -46.31 89.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.373 -0.829 . . . . 99.99 110.447 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -49.15 66.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 99.99 110.348 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.93 -34.2 69.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.194 -0.941 . . . . 99.99 110.334 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -53.68 55.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.076 -1.015 . . . . 99.99 109.961 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.98 55.3 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.102 -1.599 . . . . 99.99 109.102 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -67.73 -47.49 69.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.988 . . . . 99.99 109.449 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 93.2 m -50.5 -30.76 13.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.809 . . . . 99.99 110.094 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.02 -72.07 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.416 -0.803 . . . . 99.99 109.955 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 9.5 pt-20 -47.32 -35.3 7.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.861 . . . . 99.99 110.746 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' B' ' 21' ' ' GLU . 41.7 t -56.58 -46.29 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.93 . . . . 99.99 109.846 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.68 -22.52 46.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 99.99 110.25 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -81.52 -67.21 0.8 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 99.99 110.211 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.405 ' HB3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -54.92 -29.59 56.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.125 -0.984 . . . . 99.99 109.982 179.748 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 51.16 55.52 16.28 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 99.99 110.504 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.405 ' HD3' ' HB3' ' B' ' 25' ' ' GLN . 46.9 Cg_endo -73.62 151.25 46.63 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.631 1.332 . . . . 99.99 110.338 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.01 -46.63 1.06 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.666 1.35 . . . . 99.99 109.913 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 30.6 p-10 -111.94 119.13 37.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.403 -0.81 . . . . 99.99 109.842 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -33.28 64.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.264 -0.898 . . . . 99.99 110.598 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 46.6 t -50.67 -65.93 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 99.99 110.112 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.78 -39.38 65.37 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.538 -0.726 . . . . 99.99 110.014 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.403 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 20.6 t80 -61.33 -55.34 32.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.237 -0.914 . . . . 99.99 109.599 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.71 -34.19 51.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.803 . . . . 99.99 110.169 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.17 -39.95 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.213 -0.929 . . . . 99.99 110.393 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -70.16 -37.89 75.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.198 -0.939 . . . . 99.99 110.54 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -70.37 -66.85 0.55 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.214 -0.929 . . . . 99.99 110.492 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -49.09 -47.58 45.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.87 . . . . 99.99 110.708 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -56.31 -38.88 71.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 99.99 109.981 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -31.24 51.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.938 . . . . 99.99 110.251 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.03 83.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 99.99 110.237 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -20.91 63.84 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.204 -0.935 . . . . 99.99 110.036 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -121.38 14.59 11.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 99.99 110.401 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.74 -39.23 68.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 99.99 110.131 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -164.57 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.889 . . . . 99.99 110.159 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.035 -0.983 . . . . 99.99 110.243 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.302 0.573 . . . . 99.99 110.183 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.61 -22.67 23.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.274 -0.891 . . . . 99.99 110.193 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 99.99 109.887 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.88 -23.06 6.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 99.99 110.166 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.32 -55.12 3.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 99.99 109.713 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.89 81.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.265 -0.897 . . . . 99.99 109.698 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.483 ' CB ' ' CG2' ' A' ' 19' ' ' THR . . . -68.17 -43.46 78.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -0.921 . . . . 99.99 109.269 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 27.2 t -53.53 -29.2 35.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 99.99 109.818 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.18 73.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.204 -0.935 . . . . 99.99 110.254 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.95 -34.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.116 -0.99 . . . . 99.99 109.765 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' C' ' 15' ' ' ILE . 93.9 t -69.47 -38.55 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.772 . . . . 99.99 109.736 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.3 -39.59 93.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.564 -0.71 . . . . 99.99 110.733 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.25 -23.1 38.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.943 . . . . 99.99 110.737 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 69.6 t -89.77 -25.31 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.023 -1.048 . . . . 99.99 109.622 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . 0.41 ' CG2' ' O ' ' C' ' 11' ' ' VAL . 5.0 tt -85.28 -20.42 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.42 -0.8 . . . . 99.99 109.913 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -70.51 -23.66 62.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 99.99 110.351 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -101.92 -43.43 5.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.275 -0.891 . . . . 99.99 110.892 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' C' ' 19' ' ' LYS . 5.8 p -51.03 -42.07 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.095 -1.003 . . . . 99.99 110.558 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.474 ' N ' ' CG1' ' C' ' 18' ' ' VAL . 29.5 tttt -79.47 -24.77 42.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.464 -0.773 . . . . 99.99 110.245 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.45 32.12 5.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 99.99 110.311 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.29 -23.45 8.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.2 -0.937 . . . . 99.99 110.285 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.29 -33.04 81.32 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.647 -1.381 . . . . 99.99 109.647 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.22 15.0 30.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.138 -1.213 . . . . 99.99 110.419 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.987 -1.006 . . . . 99.99 110.379 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.155 0.503 . . . . 99.99 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -63.99 1.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.14 -0.975 . . . . 99.99 110.118 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.35 -123.06 6.65 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.592 -1.403 . . . . 99.99 109.592 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -136.25 125.95 25.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.336 -1.097 . . . . 99.99 110.264 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.462 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 5.3 mp -118.95 77.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.937 . . . . 99.99 110.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -110.99 28.24 8.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.18 -0.95 . . . . 99.99 110.076 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.28 118.31 16.04 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.375 -0.828 . . . . 99.99 109.86 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.45 112.06 3.37 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.378 1.199 . . . . 99.99 110.688 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -75.38 171.92 17.32 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.566 1.298 . . . . 99.99 110.24 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.57 -2.85 85.01 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.904 -1.141 . . . . 99.99 110.305 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.67 -20.11 57.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.361 . . . . 99.99 110.414 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.3 m -73.46 -62.51 1.46 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 99.99 110.251 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.72 -22.76 9.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 99.99 110.384 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.95 -57.46 3.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.142 -0.974 . . . . 99.99 110.19 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.94 -55.51 34.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 99.99 110.008 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -44.26 61.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.877 . . . . 99.99 109.962 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -57.38 -48.05 83.44 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.969 -1.652 . . . . 99.99 108.969 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -58.73 -27.02 64.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.48 -1.012 . . . . 99.99 110.232 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -69.7 -39.28 76.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 99.99 110.163 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.51 -26.63 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.071 -1.018 . . . . 99.99 110.511 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -77.92 -54.32 6.44 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.135 -0.978 . . . . 99.99 108.702 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.8 t -50.08 -33.11 9.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 121.338 0.59 . . . . 99.99 109.947 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.56 -36.49 29.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 99.99 109.814 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -68.54 0.42 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.389 -0.819 . . . . 99.99 110.378 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -56.82 -30.48 63.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 99.99 110.64 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.59 59.36 15.4 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 99.99 110.076 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.93 164.62 35.05 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.592 1.311 . . . . 99.99 110.723 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.24 -20.74 32.19 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.777 1.409 . . . . 99.99 110.257 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -162.24 145.93 11.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.381 -0.824 . . . . 99.99 110.105 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' A' ' 30' ' ' LEU . 6.3 mp -85.89 -22.15 27.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.226 -0.921 . . . . 99.99 109.95 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.38 -58.47 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 99.99 109.719 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.27 -45.16 73.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.537 -0.727 . . . . 99.99 109.999 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.44 -49.13 79.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 99.99 109.627 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 30' ' ' LEU . . . -56.68 -40.98 76.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 99.99 109.856 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.4 ' O ' ' HB ' ' A' ' 39' ' ' THR . 69.9 t -71.41 -28.38 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.338 -0.851 . . . . 99.99 109.819 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -28.37 22.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.296 -0.877 . . . . 99.99 109.382 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 41.3 t80 -80.41 -52.69 7.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.275 -0.891 . . . . 99.99 110.319 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -66.12 -43.49 87.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 99.99 110.648 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 24.0 m -57.81 -44.51 86.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.114 -0.991 . . . . 99.99 109.78 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -63.67 -26.58 68.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 99.99 109.86 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -38.68 81.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 99.99 109.826 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -23.28 66.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 99.99 110.173 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -100.19 12.04 37.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 99.99 110.574 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.37 48.8 1.26 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.023 -1.048 . . . . 99.99 110.041 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.56 84.68 2.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 99.99 110.077 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 117.935 -1.031 . . . . 99.99 110.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.271 0.558 . . . . 99.99 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 4.0 ttm -143.75 -179.72 6.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.91 . . . . 99.99 110.19 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 93.48 141.45 10.94 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.689 -1.365 . . . . 99.99 109.689 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -163.02 53.46 0.18 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -1.115 . . . . 99.99 110.199 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 7.4 tp -120.65 143.01 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 99.99 110.309 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.79 41.49 2.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.176 -0.952 . . . . 99.99 110.305 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp -139.97 135.17 16.25 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.283 -0.886 . . . . 99.99 109.976 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.66 133.56 20.6 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.621 1.327 . . . . 99.99 110.375 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.19 -178.14 3.07 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 123.559 1.294 . . . . 99.99 110.506 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.89 1.04 90.6 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.27 -1.132 . . . . 99.99 110.27 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.429 ' HG ' ' CD1' ' B' ' 15' ' ' LEU . 2.1 tp -87.94 -41.8 12.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.864 -1.374 . . . . 99.99 110.325 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 m -62.13 -54.8 36.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 99.99 110.407 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.39 -53.42 56.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 99.99 110.477 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -52.14 64.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 99.99 110.498 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.429 ' CD1' ' HG ' ' B' ' 11' ' ' LEU . 96.0 mt -61.22 -44.39 97.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.247 -0.908 . . . . 99.99 110.455 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.09 -45.94 61.64 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.12 -0.987 . . . . 99.99 110.416 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.38 -45.27 84.05 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.362 -1.495 . . . . 99.99 109.362 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -65.14 -38.22 89.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -1.15 . . . . 99.99 110.145 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.0 m -50.96 -57.31 8.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.081 -1.012 . . . . 99.99 109.24 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.95 -47.11 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.133 -1.062 . . . . 99.99 108.133 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -65.72 0.52 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.495 0.664 . . . . 99.99 110.874 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.06 -40.36 45.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.449 -0.782 . . . . 99.99 110.332 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.04 -11.08 60.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.143 -0.973 . . . . 99.99 110.682 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 -58.54 1.91 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 99.99 110.323 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.28 -37.03 74.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 99.99 110.358 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.37 56.14 15.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 99.99 110.013 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.421 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 45.2 Cg_endo -71.14 162.15 43.54 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.65 1.342 . . . . 99.99 110.822 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.85 -37.24 5.25 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.757 1.399 . . . . 99.99 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -120.45 120.94 37.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.294 -0.879 . . . . 99.99 110.165 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.95 -33.4 57.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.259 -0.9 . . . . 99.99 109.97 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 t -54.64 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.414 -0.804 . . . . 99.99 109.965 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.68 -35.06 68.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.403 -0.811 . . . . 99.99 109.861 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.421 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 29.7 t80 -66.79 -50.83 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 99.99 109.632 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 -29.96 58.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.894 . . . . 99.99 109.774 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' B' ' 39' ' ' THR . 97.7 t -73.18 -54.71 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.327 -0.858 . . . . 99.99 110.14 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.65 -36.53 56.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.192 -0.943 . . . . 99.99 110.511 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -67.37 -74.73 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 99.99 110.718 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -53.05 -42.62 65.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 99.99 110.765 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' B' ' 35' ' ' VAL . 45.1 m -52.58 -52.67 54.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.963 -1.086 . . . . 99.99 109.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -30.26 69.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 99.99 110.113 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.51 -20.48 64.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 99.99 110.274 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -22.83 47.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.134 -0.979 . . . . 99.99 110.295 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -110.37 15.37 22.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 99.99 110.424 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -111.37 67.65 0.65 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.025 -1.047 . . . . 99.99 110.358 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -119.03 44.8 2.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.941 . . . . 99.99 110.219 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.122 -0.986 . . . . 99.99 110.201 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.184 0.516 . . . . 99.99 110.255 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp -121.36 14.51 11.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.859 . . . . 99.99 110.556 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 mt -80.15 -51.12 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.1 -1.0 . . . . 99.99 110.47 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.96 -20.33 15.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.169 -0.957 . . . . 99.99 110.121 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.36 -42.75 12.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 99.99 109.568 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.2 -27.95 61.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.792 . . . . 99.99 109.994 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.438 ' HB3' ' CG2' ' A' ' 19' ' ' THR . . . -80.33 -21.45 42.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 99.99 109.953 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.9 p -80.12 -34.17 38.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.134 -0.979 . . . . 99.99 109.873 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -47.93 29.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 99.99 110.207 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.7 OUTLIER -53.72 -42.55 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 99.99 109.421 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 53.0 t -64.86 -27.08 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 99.99 109.351 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.07 -34.07 76.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 99.99 110.37 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -41.05 62.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 99.99 110.595 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 35.0 t -66.68 -45.48 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.046 -1.034 . . . . 99.99 109.728 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -66.64 -19.8 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.025 . . . . 99.99 110.19 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.02 -31.31 44.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 99.99 110.265 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -44.46 12.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.89 . . . . 99.99 110.264 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.21 -20.89 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.307 -0.871 . . . . 99.99 110.318 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -111.29 -9.96 14.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.248 -0.907 . . . . 99.99 110.771 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.56 25.2 3.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.957 -1.089 . . . . 99.99 110.404 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -51.76 52.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.197 -0.939 . . . . 99.99 110.16 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.89 -22.42 41.04 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.778 -1.329 . . . . 99.99 109.778 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . 54.43 64.16 1.91 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.25 -1.147 . . . . 99.99 110.296 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.039 -0.982 . . . . 99.99 110.167 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.223 0.535 . . . . 99.99 110.228 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.1 ttt -163.59 117.53 1.55 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 99.99 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.97 169.89 24.22 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.774 -1.331 . . . . 99.99 109.774 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.54 -53.82 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.249 -1.148 . . . . 99.99 110.213 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 tp -125.18 137.13 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.824 . . . . 99.99 110.282 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.19 35.8 0.2 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.213 -0.929 . . . . 99.99 110.47 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.28 110.8 10.71 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 99.99 110.079 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 116.04 4.53 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.463 1.243 . . . . 99.99 110.269 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.54 176.72 8.36 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.516 1.272 . . . . 99.99 110.682 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.15 1.46 81.78 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.19 -1.164 . . . . 99.99 110.19 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.59 -6.62 58.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.861 -1.376 . . . . 99.99 110.631 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 m -74.69 -65.52 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.022 -1.049 . . . . 99.99 110.44 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -40.13 57.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.323 -0.861 . . . . 99.99 110.526 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.52 -61.66 2.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 99.99 110.409 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.04 -67.38 0.38 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.217 -0.927 . . . . 99.99 110.588 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 -37.44 21.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.187 -0.946 . . . . 99.99 110.463 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.89 57.31 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.69 -1.764 . . . . 99.99 108.69 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.427 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 7.5 t80 -73.7 -47.27 40.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.553 -0.969 . . . . 99.99 109.57 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.437 ' CG2' ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.59 -29.2 36.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 99.99 109.802 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -76.21 -77.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.357 -0.839 . . . . 99.99 110.582 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 9.5 pt-20 -47.22 -43.18 21.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 99.99 111.159 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 18' ' ' TYR . 95.3 t -57.94 -39.23 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 99.99 110.06 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt -84.27 -58.78 2.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.133 -0.979 . . . . 99.99 110.384 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.82 -57.86 10.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 99.99 110.313 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -90.61 59.73 4.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.938 . . . . 99.99 110.096 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -36.55 97.35 0.13 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.918 -0.489 . . . . 99.99 111.712 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 25' ' ' GLN . 50.0 Cg_endo -75.76 164.13 32.48 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.942 1.496 . . . . 99.99 110.404 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.64 -44.5 1.45 Allowed 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.599 1.315 . . . . 99.99 110.062 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.56 122.25 23.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.476 -0.765 . . . . 99.99 109.835 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -43.83 91.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 99.99 109.893 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.27 -59.61 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.322 -0.861 . . . . 99.99 109.566 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.68 -38.39 84.81 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.553 -0.717 . . . . 99.99 109.845 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.74 -39.44 94.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 99.99 109.641 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB1' ' CG ' ' B' ' 38' ' ' PHE . . . -61.68 -40.68 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.391 -0.818 . . . . 99.99 109.848 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' B' ' 38' ' ' PHE . 87.5 t -74.98 -37.47 41.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.342 -0.849 . . . . 99.99 109.972 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.25 -26.2 61.02 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.292 -0.88 . . . . 99.99 109.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 34.1 t80 -78.69 -66.43 0.86 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 99.99 110.465 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -54.94 -48.85 72.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 99.99 110.564 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 52.1 m -52.43 -46.86 66.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.947 -1.096 . . . . 99.99 109.902 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -28.94 67.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 99.99 109.855 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.27 -41.45 84.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 99.99 109.83 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -44.68 54.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.117 -0.99 . . . . 99.99 110.141 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -89.81 10.86 21.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.334 -0.854 . . . . 99.99 110.454 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.22 32.95 2.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.999 -1.063 . . . . 99.99 109.954 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -154.18 -58.75 0.12 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.334 -0.854 . . . . 99.99 110.23 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 117.886 -1.054 . . . . 99.99 110.093 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 26.7 t60 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.25 0.548 . . . . 99.99 110.201 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.9 mtp -104.56 158.91 16.17 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 99.99 110.202 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.44 -147.62 5.43 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.822 -1.311 . . . . 99.99 109.822 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.453 ' O ' ' CD2' ' B' ' 4' ' ' HIS . 47.6 p-80 -166.74 77.09 0.19 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -1.137 . . . . 99.99 110.124 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 tp -103.15 147.38 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.144 -0.972 . . . . 99.99 110.433 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -155.32 36.17 0.38 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.411 -0.806 . . . . 99.99 110.016 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 mm -128.0 127.61 23.85 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.313 -0.867 . . . . 99.99 110.204 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.71 119.2 5.95 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.424 1.223 . . . . 99.99 110.361 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.06 164.35 35.74 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.402 1.212 . . . . 99.99 110.385 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.59 76.08 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.766 -1.333 . . . . 99.99 109.766 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -87.71 -38.71 15.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.186 -1.184 . . . . 99.99 110.055 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -71.35 -36.77 71.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 99.99 109.955 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.34 -50.94 71.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.33 -0.856 . . . . 99.99 109.982 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.46 -43.23 71.5 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 99.99 109.964 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.3 mt -71.69 -40.32 69.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 99.99 110.027 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -45.02 73.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 99.99 109.734 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.15 -51.73 55.7 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.13 -1.588 . . . . 99.99 109.13 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.468 ' CE1' ' HA ' ' B' ' 34' ' ' ALA . 15.8 t80 -55.15 -31.58 61.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -1.154 . . . . 99.99 110.084 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.0 m -68.43 -43.93 76.04 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.859 . . . . 99.99 110.43 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.26 -19.89 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.218 -0.927 . . . . 99.99 110.562 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.455 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.4 mt-10 -89.98 -48.92 6.9 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.145 -0.972 . . . . 99.99 108.992 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.59 -25.31 7.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.711 -0.618 . . . . 99.99 110.023 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -90.15 -36.9 14.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 99.99 110.294 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -57.5 3.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 99.99 110.386 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -62.73 -39.93 95.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 99.99 110.557 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 54.27 54.62 11.4 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.284 -0.885 . . . . 99.99 109.997 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 47.6 Cg_endo -71.36 156.32 58.84 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.731 1.385 . . . . 99.99 110.62 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.15 -37.89 5.52 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.712 1.375 . . . . 99.99 110.22 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.71 130.9 55.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 99.99 110.011 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.79 -39.12 16.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.317 -0.865 . . . . 99.99 110.324 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -49.5 -67.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 99.99 110.25 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -55.23 -42.4 73.35 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.419 -0.801 . . . . 99.99 109.7 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -57.53 -51.97 67.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.874 . . . . 99.99 109.684 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.468 ' HA ' ' CE1' ' B' ' 18' ' ' TYR . . . -48.92 -34.96 13.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.396 -0.815 . . . . 99.99 110.503 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 88.5 t -70.96 -51.41 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.128 -0.982 . . . . 99.99 109.965 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.28 -30.32 59.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.347 -0.846 . . . . 99.99 110.166 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.455 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 29.8 t80 -74.75 -73.48 0.24 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 99.99 110.378 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.477 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 15.2 m-85 -49.48 -42.36 43.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.213 -0.929 . . . . 99.99 110.536 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -53.67 -43.55 68.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.205 -0.935 . . . . 99.99 109.962 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -27.76 69.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 99.99 110.099 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -25.33 63.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 99.99 110.072 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -18.73 62.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 99.99 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -78.81 -23.43 45.15 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.215 -0.928 . . . . 99.99 109.715 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.46 30.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 99.99 110.188 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.46 -166.15 0.58 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 99.99 110.338 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.99 -1.005 . . . . 99.99 110.235 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.275 0.56 . . . . 99.99 110.187 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -54.13 49.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.262 -0.899 . . . . 99.99 110.249 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 mt -59.8 -49.35 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.377 -0.827 . . . . 99.99 110.278 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -57.57 -19.51 26.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.315 -0.865 . . . . 99.99 110.396 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.52 -50.88 5.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 99.99 109.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.98 77.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 99.99 109.783 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.437 ' HA ' ' CG2' ' A' ' 19' ' ' THR . . . -72.49 -22.99 60.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.173 -0.954 . . . . 99.99 109.444 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -67.91 -45.71 73.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.314 -0.866 . . . . 99.99 109.642 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -62.13 -36.21 81.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 99.99 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 mm -53.73 -42.86 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 99.99 109.275 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.14 -45.39 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 99.99 110.017 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -61.54 -29.09 69.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.313 -0.867 . . . . 99.99 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.68 -26.37 34.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 99.99 110.452 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 69.9 t -87.57 -26.53 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.145 -0.972 . . . . 99.99 109.723 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.47 -23.96 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 99.99 109.704 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.64 -33.31 75.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.221 -0.925 . . . . 99.99 110.212 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -40.75 15.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 99.99 110.107 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.17 -12.74 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.835 . . . . 99.99 110.58 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -103.98 -57.47 2.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.087 -1.008 . . . . 99.99 110.574 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.45 68.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -0.884 . . . . 99.99 110.555 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.83 16.71 13.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.141 -0.974 . . . . 99.99 110.489 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.56 51.01 2.35 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.624 -1.39 . . . . 99.99 109.624 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.13 -80.54 0.1 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.336 -1.096 . . . . 99.99 110.16 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.998 -1.001 . . . . 99.99 110.206 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 54.2 m80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.249 0.547 . . . . 99.99 110.182 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.97 68.51 0.84 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.224 -0.923 . . . . 99.99 110.147 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.42 69.4 0.25 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.493 -1.443 . . . . 99.99 109.493 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -140.04 60.25 1.56 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.145 -1.209 . . . . 99.99 110.144 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.61 139.41 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.264 -0.897 . . . . 99.99 110.14 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -158.45 -157.56 0.63 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 99.99 110.198 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -121.49 145.95 43.94 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.231 -0.918 . . . . 99.99 109.75 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.47 113.77 3.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.772 1.407 . . . . 99.99 110.367 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.92 -172.97 1.39 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.496 1.261 . . . . 99.99 110.186 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.1 13.35 60.6 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.91 -1.276 . . . . 99.99 109.91 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.61 -29.69 18.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.259 . . . . 99.99 109.968 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.1 m -62.16 -60.32 3.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 99.99 110.248 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.27 -25.77 49.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.273 -0.892 . . . . 99.99 110.023 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.9 -51.06 10.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 99.99 110.188 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.05 -55.3 13.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 99.99 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.71 -45.25 48.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.1 -1.0 . . . . 99.99 110.197 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.0 -42.35 70.62 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.137 -1.585 . . . . 99.99 109.137 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.76 -32.8 73.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.381 -1.07 . . . . 99.99 109.923 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.434 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -66.3 -31.33 72.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.312 -0.868 . . . . 99.99 110.37 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -79.63 -21.66 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 99.99 110.504 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -91.46 -48.95 6.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.113 -0.992 . . . . 99.99 109.157 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.42 -32.27 40.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.624 -0.672 . . . . 99.99 110.417 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -86.14 -33.96 20.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 99.99 110.352 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -78.52 -71.8 0.41 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.246 -0.909 . . . . 99.99 110.325 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.58 -34.19 24.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.329 -0.857 . . . . 99.99 110.475 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 52.39 56.35 15.2 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.87 . . . . 99.99 110.206 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.31 151.76 66.13 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.633 1.333 . . . . 99.99 110.423 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.03 -30.57 16.24 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.685 1.361 . . . . 99.99 110.395 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -115.38 130.87 57.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.356 -0.84 . . . . 99.99 110.205 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.42 -49.37 6.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.222 -0.923 . . . . 99.99 110.108 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.5 -62.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.265 -0.897 . . . . 99.99 109.894 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -54.55 -34.61 62.12 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.606 -0.684 . . . . 99.99 109.865 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -65.78 -46.82 77.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.918 . . . . 99.99 109.66 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.09 -33.76 58.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.348 -0.845 . . . . 99.99 109.999 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.07 -54.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.313 -0.867 . . . . 99.99 110.159 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.01 -36.86 63.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 99.99 110.539 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 5.9 t80 -65.93 -76.96 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.262 -0.899 . . . . 99.99 110.459 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -48.76 -47.9 41.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 99.99 110.908 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.4 m -50.43 -32.45 17.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.171 -0.956 . . . . 99.99 110.666 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.67 21.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 99.99 109.974 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -56.09 -21.99 25.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.338 -0.851 . . . . 99.99 110.403 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -27.4 60.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.179 -0.95 . . . . 99.99 109.871 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -101.13 13.26 35.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 99.99 110.523 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.19 24.46 11.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.152 -0.968 . . . . 99.99 110.212 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -21.87 53.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.907 . . . . 99.99 110.247 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.92 -1.038 . . . . 99.99 110.413 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.262 0.554 . . . . 99.99 110.154 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.57 90.29 7.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.948 . . . . 99.99 110.239 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.63 -166.53 12.0 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.333 -1.507 . . . . 99.99 109.333 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -125.57 71.26 1.21 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.249 -1.147 . . . . 99.99 110.044 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.89 152.45 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.339 -0.851 . . . . 99.99 110.169 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -146.68 68.52 1.17 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.206 -0.934 . . . . 99.99 110.525 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -122.38 142.28 36.71 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.123 -0.986 . . . . 99.99 109.918 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -72.23 136.44 26.75 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.534 1.281 . . . . 99.99 110.532 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.99 160.76 39.81 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.64 1.337 . . . . 99.99 110.493 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.1 -21.21 41.29 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.849 -1.3 . . . . 99.99 109.849 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.6 -50.4 31.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.221 -1.164 . . . . 99.99 110.433 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.8 m -54.6 -63.03 1.28 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 99.99 110.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.38 -52.99 40.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 99.99 110.283 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.23 -35.95 65.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 99.99 110.29 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.74 -51.66 13.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 99.99 110.151 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -39.48 58.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.124 -0.985 . . . . 99.99 110.169 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.55 66.48 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.33 -1.508 . . . . 99.99 109.33 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -62.07 -39.72 93.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.308 -1.113 . . . . 99.99 110.111 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -50.61 -61.33 2.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.044 -1.035 . . . . 99.99 109.316 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.11 -41.05 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.475 -0.935 . . . . 99.99 108.475 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 0.1 OUTLIER -53.45 -63.97 0.97 Allowed 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.316 0.579 . . . . 99.99 111.088 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 87.2 t -47.62 -33.58 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.513 -0.742 . . . . 99.99 110.676 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.42 ' CD2' ' N ' ' B' ' 23' ' ' LEU . 4.5 mm? -84.89 -20.11 31.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.102 -0.999 . . . . 99.99 110.067 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -72.8 -61.38 1.83 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 99.99 109.776 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.0 -26.05 34.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.266 -0.896 . . . . 99.99 109.907 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 51.54 55.36 15.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 99.99 110.355 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 46.8 Cg_endo -71.79 149.21 53.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.684 1.36 . . . . 99.99 110.415 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.57 -40.16 5.97 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.648 1.341 . . . . 99.99 110.218 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -107.65 115.62 30.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 99.99 109.952 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.37 -34.27 36.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.195 -0.941 . . . . 99.99 110.35 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -50.11 -65.67 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.214 -0.929 . . . . 99.99 110.239 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -41.39 84.1 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.448 -0.782 . . . . 99.99 109.926 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.93 -44.55 97.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 99.99 109.95 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -59.63 -42.79 93.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 99.99 109.954 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' B' ' 39' ' ' THR . 91.5 t -69.13 -44.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.329 -0.857 . . . . 99.99 109.987 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.19 -34.27 70.17 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.777 . . . . 99.99 110.022 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 18.1 t80 -75.89 -69.05 0.52 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.106 -0.996 . . . . 99.99 110.713 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 28.0 m-85 -51.31 -45.63 62.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.261 -0.899 . . . . 99.99 110.919 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' B' ' 35' ' ' VAL . 35.2 m -51.41 -51.76 52.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.08 -1.012 . . . . 99.99 110.277 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -71.44 -22.19 61.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 99.99 110.263 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.73 -19.79 61.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.302 -0.874 . . . . 99.99 110.435 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -27.19 26.57 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.193 -0.942 . . . . 99.99 110.021 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -84.11 -23.82 30.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 99.99 110.213 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.94 59.69 1.2 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -0.924 . . . . 99.99 110.291 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -104.01 42.99 1.12 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.254 -0.904 . . . . 99.99 110.234 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 117.983 -1.008 . . . . 99.99 110.366 -179.938 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.269 0.557 . . . . 99.99 110.197 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.57 -22.74 23.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 99.99 110.099 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 mt -63.17 -51.63 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 99.99 110.037 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -21.16 48.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.148 -0.97 . . . . 99.99 109.95 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -88.23 -52.49 5.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 99.99 109.63 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.17 71.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.418 -0.801 . . . . 99.99 109.869 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.434 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -78.53 -27.79 46.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 99.99 109.649 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -76.4 -37.06 57.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.32 -0.862 . . . . 99.99 109.868 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -80.99 -46.35 15.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 99.99 110.119 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 1.2 tt -52.28 -41.82 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 99.99 109.58 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 70.5 t -63.97 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.468 -0.77 . . . . 99.99 109.311 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.29 -42.4 30.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.387 -0.821 . . . . 99.99 110.688 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.97 85.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.94 . . . . 99.99 110.252 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -66.48 -28.66 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 99.99 109.932 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mm -70.88 -24.92 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.123 -0.986 . . . . 99.99 109.785 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -27.59 61.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 99.99 110.325 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.52 -41.64 23.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.21 -0.931 . . . . 99.99 110.301 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.93 -15.74 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 99.99 110.551 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.29 -31.77 7.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.03 -1.043 . . . . 99.99 110.339 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.69 -36.91 58.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.252 -0.905 . . . . 99.99 110.33 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.48 -13.06 60.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 99.99 110.675 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.02 -63.89 4.32 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.612 -1.395 . . . . 99.99 109.612 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.3 47.26 0.16 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.254 -1.145 . . . . 99.99 110.062 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.924 -1.036 . . . . 99.99 110.182 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.297 0.57 . . . . 99.99 110.138 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.79 142.01 0.87 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 99.99 110.188 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.67 30.82 52.42 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.679 -1.368 . . . . 99.99 109.679 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 4' ' ' HIS . 58.6 t60 -114.9 39.51 2.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -1.163 . . . . 99.99 110.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.18 60.93 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.923 . . . . 99.99 110.187 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.82 -154.08 0.61 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.343 -0.848 . . . . 99.99 110.078 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 2.4 pp -55.2 137.75 67.26 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.176 -0.953 . . . . 99.99 110.09 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.99 114.65 3.97 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.606 1.319 . . . . 99.99 110.539 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.25 164.39 35.78 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.474 1.25 . . . . 99.99 110.581 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.01 -24.69 10.56 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.751 -1.339 . . . . 99.99 109.751 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' HG ' ' CD1' ' A' ' 15' ' ' LEU . 10.4 tp -54.15 -26.37 27.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.218 -1.166 . . . . 99.99 110.4 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.1 m -60.76 -59.76 4.88 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.226 -0.921 . . . . 99.99 110.288 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.44 -30.8 61.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 99.99 110.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.27 -58.57 3.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.166 -0.959 . . . . 99.99 110.528 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 68.9 mt -61.94 -57.38 11.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 99.99 110.639 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.15 -37.42 46.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.088 -1.008 . . . . 99.99 110.239 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.15 96.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.3 -1.52 . . . . 99.99 109.3 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 34' ' ' ALA . 9.5 t80 -72.33 -35.72 68.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.348 -1.089 . . . . 99.99 110.262 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.72 -54.84 32.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.066 -1.022 . . . . 99.99 108.988 179.362 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.36 -46.95 94.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.155 -1.054 . . . . 99.99 108.155 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -50.56 -56.26 12.48 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.362 0.601 . . . . 99.99 111.074 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.4 -24.51 35.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.301 -0.874 . . . . 99.99 110.508 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.43 -26.61 20.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.128 -0.982 . . . . 99.99 110.147 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -75.48 -55.8 5.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.292 -0.88 . . . . 99.99 110.128 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.72 -30.42 36.27 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.272 -0.893 . . . . 99.99 109.73 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.85 57.61 14.74 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.247 -0.908 . . . . 99.99 110.235 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.6 151.43 58.45 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.525 1.276 . . . . 99.99 110.48 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.79 -36.72 7.63 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.671 1.353 . . . . 99.99 110.366 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 20.7 p-10 -111.08 122.71 48.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 99.99 110.189 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -89.24 -33.27 17.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 99.99 110.166 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.3 t -52.54 -61.17 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.25 -0.906 . . . . 99.99 109.92 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.05 -45.73 90.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.541 -0.724 . . . . 99.99 109.978 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 19.2 t80 -57.4 -54.21 49.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 99.99 109.612 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 18' ' ' TYR . . . -49.22 -35.01 16.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 99.99 110.313 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.79 -53.45 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.288 -0.882 . . . . 99.99 110.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -49.71 -46.6 50.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 99.99 110.662 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.462 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 18.2 t80 -55.17 -72.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 99.99 110.201 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 27.5 m-85 -54.46 -41.97 70.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 99.99 110.492 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -53.17 -49.77 65.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.962 . . . . 99.99 109.943 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -31.02 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 99.99 109.848 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -36.73 65.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 99.99 110.041 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -44.57 84.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.407 -0.808 . . . . 99.99 110.277 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -70.48 -23.57 62.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 99.99 110.293 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.38 -30.44 23.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.166 -0.959 . . . . 99.99 110.112 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.48 42.38 29.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.189 -0.945 . . . . 99.99 110.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.97 -1.014 . . . . 99.99 110.296 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 37.9 m170 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.238 0.542 . . . . 99.99 110.167 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 57.5 mtm -113.5 -80.75 0.59 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 99.99 110.243 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.79 158.99 11.16 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.57 -1.412 . . . . 99.99 109.57 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.86 42.13 1.3 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -1.189 . . . . 99.99 110.335 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.89 82.14 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 99.99 110.176 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.89 152.76 27.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 99.99 110.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -70.49 135.57 86.3 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.919 . . . . 99.99 109.79 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.49 138.14 31.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.451 1.237 . . . . 99.99 110.545 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.06 157.65 50.58 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.634 1.334 . . . . 99.99 110.43 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.36 -25.9 4.47 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.48 -1.448 . . . . 99.99 109.48 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -76.79 -8.58 57.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.281 -1.129 . . . . 99.99 110.541 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.0 m -80.65 -60.15 2.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 99.99 110.583 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.67 -49.72 64.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.363 -0.835 . . . . 99.99 110.769 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.69 -56.97 14.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.24 -0.912 . . . . 99.99 110.704 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -58.45 -46.17 87.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -0.989 . . . . 99.99 110.603 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -50.08 -44.97 52.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.012 -1.055 . . . . 99.99 110.308 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.65 80.33 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.033 -1.627 . . . . 99.99 109.033 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.4 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 14.9 t80 -55.82 -34.38 65.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.336 -1.097 . . . . 99.99 109.75 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -64.84 -42.27 95.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.412 -0.805 . . . . 99.99 110.233 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.37 -21.98 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 99.99 110.388 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.2 mt-10 -89.92 -51.45 5.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.266 -0.896 . . . . 99.99 108.827 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 41.6 t -48.36 -31.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.756 -0.59 . . . . 99.99 110.121 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -89.37 -31.56 17.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.264 -0.897 . . . . 99.99 109.964 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.22 -63.02 1.46 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.294 -0.879 . . . . 99.99 110.356 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -53.8 -34.83 60.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -0.931 . . . . 99.99 110.122 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.0 OUTLIER 51.93 51.17 9.45 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.452 -0.78 . . . . 99.99 110.403 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 45.9 Cg_endo -70.82 156.09 61.23 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.596 1.314 . . . . 99.99 110.382 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.26 -50.59 0.4 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.702 1.37 . . . . 99.99 110.381 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -110.76 114.49 27.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 99.99 109.982 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.48 -32.21 72.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.92 . . . . 99.99 110.263 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.08 -62.93 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.239 -0.913 . . . . 99.99 109.963 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.71 -42.65 89.18 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.565 -0.71 . . . . 99.99 110.045 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.465 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 23.2 t80 -58.69 -52.36 66.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.907 . . . . 99.99 109.733 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.18 -38.83 54.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 99.99 110.503 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 95.5 t -70.93 -42.03 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.141 -0.975 . . . . 99.99 110.361 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.3 -29.77 70.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.897 . . . . 99.99 110.776 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.463 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 37.4 t80 -72.28 -60.75 2.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.121 -0.987 . . . . 99.99 110.608 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -62.94 -47.73 81.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.135 -0.978 . . . . 99.99 110.58 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 71.9 m -51.91 -45.94 64.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.104 -0.998 . . . . 99.99 110.201 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -68.85 -29.71 68.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -0.941 . . . . 99.99 109.866 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tp -55.66 -39.41 70.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.851 . . . . 99.99 110.218 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -48.64 47.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.302 -0.874 . . . . 99.99 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.34 -45.8 30.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 99.99 109.882 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.86 46.63 25.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.422 -0.799 . . . . 99.99 110.461 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.21 131.72 45.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 99.99 110.048 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 117.989 -1.005 . . . . 99.99 110.223 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' C' ' 3' ' ' ILE . 48.3 m-20 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.148 0.499 . . . . 99.99 110.284 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 mp 59.81 -81.56 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.489 -0.757 . . . . 99.99 110.607 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' C' ' 1' ' ' ASP . 3.0 mt -47.92 -38.73 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.235 -0.916 . . . . 99.99 110.505 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.94 -19.91 66.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.176 -0.952 . . . . 99.99 110.208 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -97.08 -42.74 7.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 99.99 109.706 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -32.76 72.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.249 -0.907 . . . . 99.99 109.651 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.427 ' CB ' ' HB ' ' A' ' 19' ' ' THR . . . -79.52 -21.01 45.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.258 -0.901 . . . . 99.99 109.675 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -32.02 45.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 99.99 109.574 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -49.54 14.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.197 -0.939 . . . . 99.99 109.955 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.9 OUTLIER -51.78 -41.5 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.056 -1.027 . . . . 99.99 109.496 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . 0.421 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 76.6 t -66.54 -36.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.435 -0.791 . . . . 99.99 109.093 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -55.92 -40.96 73.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 99.99 109.878 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.26 91.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 99.99 110.057 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 t -64.59 -31.56 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 99.99 109.438 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 81.4 mt -74.27 -27.94 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.214 -0.928 . . . . 99.99 109.777 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -85.17 -21.94 28.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 99.99 110.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -92.0 -36.74 13.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 99.99 110.557 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' C' ' 19' ' ' LYS . 4.7 p -52.17 -42.73 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 99.99 110.089 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.466 ' N ' ' CG1' ' C' ' 18' ' ' VAL . 1.5 tptp -84.06 -25.77 29.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.491 -0.755 . . . . 99.99 109.912 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.94 47.41 0.92 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.869 . . . . 99.99 110.044 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.15 -43.14 5.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.388 -0.82 . . . . 99.99 110.188 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.97 -51.36 0.82 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.686 -1.366 . . . . 99.99 109.686 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . 54.3 26.02 6.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.196 -1.179 . . . . 99.99 110.167 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 117.969 -1.015 . . . . 99.99 110.224 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.441 ' O ' ' CD1' ' A' ' 7' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 120.587 0.232 . . . . 0.0 110.437 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.96 128.82 15.42 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.511 1.269 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 -166.93 0.3 Allowed 'Trans proline' 0 C--N 1.314 -1.277 0 O-C-N 123.525 1.277 . . . . 0.0 110.421 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.73 -34.14 5.64 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.19 -17.68 64.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.196 -1.179 . . . . 0.0 110.427 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.486 HG23 ' CG1' ' C' ' 11' ' ' VAL . 89.9 m -72.03 -66.3 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.198 -0.939 . . . . 0.0 110.636 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -54.39 -31.67 55.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.28 -0.887 . . . . 0.0 110.459 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tp -69.12 -55.54 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 0.0 110.438 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD22 HG11 ' C' ' 14' ' ' VAL . 0.9 OUTLIER -58.76 -48.28 81.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.16 -0.962 . . . . 0.0 110.487 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.711 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.0 OUTLIER -51.78 -44.02 63.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.167 -0.958 . . . . 0.0 110.249 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.0 -49.0 64.24 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.63 ' O ' HG23 ' A' ' 22' ' ' VAL . 11.0 t80 -53.92 -35.21 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -1.067 . . . . 0.0 109.677 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.618 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -66.52 -31.32 71.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.361 -0.837 . . . . 0.0 110.251 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.7 -23.91 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 110.848 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 1.6 mt-10 -81.23 -51.82 7.99 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.028 -1.045 . . . . 0.0 109.002 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 18' ' ' TYR . 29.4 t -59.37 -34.69 55.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 121.211 0.529 . . . . 0.0 110.397 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 19' ' ' THR . 4.2 mm? -79.55 -29.58 41.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.959 . . . . 0.0 110.397 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -55.09 6.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.202 -0.936 . . . . 0.0 110.32 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -33.88 41.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -0.913 . . . . 0.0 110.482 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.37 63.55 8.08 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.271 -0.893 . . . . 0.0 110.112 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.56 160.26 50.08 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.65 1.342 . . . . 0.0 110.597 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.61 -42.18 2.7 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.798 1.42 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.77 116.94 27.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.159 -0.963 . . . . 0.0 110.348 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.62 -33.49 62.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.887 . . . . 0.0 109.991 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG12 ' HD2' ' B' ' 42' ' ' ARG . 43.9 t -50.44 -54.81 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.875 . . . . 0.0 109.896 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.34 -46.97 74.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.627 -0.671 . . . . 0.0 110.071 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -56.78 -36.07 69.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 0.0 109.802 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -60.17 -49.0 79.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 0.0 110.042 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG13 ' OG1' ' B' ' 39' ' ' THR . 92.5 t -64.59 -28.21 44.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.282 -0.886 . . . . 0.0 110.039 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -70.48 -49.36 49.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.703 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.01 -70.14 0.2 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -0.813 . . . . 0.0 111.293 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -48.03 -53.04 17.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.244 -0.91 . . . . 0.0 111.351 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.513 ' OG1' HG13 ' B' ' 35' ' ' VAL . 22.3 m -48.9 -41.67 34.34 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.275 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -71.37 -28.14 63.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.0 109.573 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -31.87 66.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 0.0 109.909 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -18.1 60.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.291 -0.881 . . . . 0.0 110.528 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.12 -0.987 . . . . 0.0 110.636 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.13 135.51 23.01 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.664 1.349 . . . . 0.0 110.425 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.82 166.19 28.68 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.561 1.295 . . . . 0.0 110.292 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -37.05 3.85 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.15 -51.46 69.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -1.131 . . . . 0.0 110.167 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -61.73 -47.2 86.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.328 -0.858 . . . . 0.0 110.176 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.33 -35.31 71.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 110.163 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.61 -59.2 3.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.291 -0.881 . . . . 0.0 110.259 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.07 -35.93 65.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.22 -51.94 60.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 109.786 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.32 -41.55 98.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.552 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 32.7 t80 -64.85 -48.55 73.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -1.058 . . . . 0.0 109.652 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -51.35 -38.06 51.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.255 -0.903 . . . . 0.0 110.138 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.59 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.286 -0.884 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 9.9 pt-20 -43.81 -39.32 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.672 -0.643 . . . . 0.0 111.221 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 18' ' ' TYR . 48.2 t -52.76 -43.37 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.938 -1.102 . . . . 0.0 109.773 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' B' ' 23' ' ' LEU . 4.1 mm? -77.41 -46.82 21.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 0.0 110.345 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -50.54 70.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.109 -0.995 . . . . 0.0 110.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -34.92 60.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.18 55.68 16.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.377 -0.827 . . . . 0.0 110.288 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.16 161.75 44.84 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.728 1.383 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.13 -50.92 0.3 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.709 1.373 . . . . 0.0 110.222 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.61 122.14 44.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.895 . . . . 0.0 110.124 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.57 -27.14 58.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 0.0 110.216 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.06 -68.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 0.0 110.312 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' B' ' 36' ' ' GLU . 3.0 t0 -53.58 -42.29 67.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.781 . . . . 0.0 109.835 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -57.42 -53.32 59.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 0.0 109.787 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.552 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -50.88 -39.59 54.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.331 -0.856 . . . . 0.0 110.26 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.513 HG13 ' OG1' ' A' ' 39' ' ' THR . 64.0 t -71.19 -33.16 49.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.253 -0.904 . . . . 0.0 110.116 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 2.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.267 -0.896 . . . . 0.0 110.549 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -77.15 -67.32 0.72 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.132 -0.98 . . . . 0.0 110.465 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.46 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 14.5 m-85 -53.75 -45.52 70.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -0.928 . . . . 0.0 110.527 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' HG13 ' A' ' 35' ' ' VAL . 51.5 m -57.08 -36.98 71.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.13 -0.981 . . . . 0.0 110.15 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttt85 -73.74 -30.16 62.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.931 . . . . 0.0 110.084 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -41.48 81.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 0.0 109.845 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.53 ' HD2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.03 -34.33 29.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 0.0 110.22 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 0.0 109.98 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.247 0.546 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.84 -39.72 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.867 . . . . 0.0 110.094 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.88 -16.86 53.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 110.287 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -94.88 -43.23 8.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 0.0 109.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.84 61.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.357 -0.839 . . . . 0.0 109.877 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.573 ' O ' HG23 ' C' ' 11' ' ' VAL . . . -80.06 -20.39 45.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.246 -0.909 . . . . 0.0 109.683 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -78.53 -34.26 47.31 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.132 -0.98 . . . . 0.0 109.632 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -79.6 -39.99 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.286 -0.884 . . . . 0.0 110.113 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.423 HD13 ' O ' ' C' ' 10' ' ' ILE . 0.3 OUTLIER -55.43 -41.7 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.967 . . . . 0.0 109.181 179.588 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.711 HG21 ' HG3' ' A' ' 16' ' ' GLN . 89.5 t -64.07 -40.79 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.545 -0.722 . . . . 0.0 109.784 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -29.41 33.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.477 -0.764 . . . . 0.0 110.761 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -46.21 25.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.069 -1.02 . . . . 0.0 110.441 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.553 HG11 HD22 ' A' ' 15' ' ' LEU . 55.6 t -63.46 -45.51 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 110.152 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.531 HG22 ' O ' ' C' ' 11' ' ' VAL . 0.9 OUTLIER -66.62 -27.0 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.167 -0.958 . . . . 0.0 110.344 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.81 -22.07 63.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 110.411 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -101.36 -50.46 3.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -0.902 . . . . 0.0 110.807 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 7' ' ' ILE . 40.5 t . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.162 -0.961 . . . . 0.0 110.725 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.4 mp . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -71.38 112.67 3.4 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.589 1.31 . . . . 0.0 110.772 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.79 174.82 11.21 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.611 1.322 . . . . 0.0 110.332 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.94 -7.93 80.96 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 11' ' ' LEU . 15.5 tp -66.18 -13.0 59.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.862 -1.375 . . . . 0.0 110.731 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 m -79.85 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 0.0 110.511 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -31.0 11.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 0.0 110.618 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -53.9 9.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 0.0 110.351 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.442 HD23 HG21 ' C' ' 14' ' ' VAL . 4.4 mp -66.41 -60.97 2.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 0.0 110.439 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -50.67 -36.67 36.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.171 -0.956 . . . . 0.0 110.335 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -55.84 -42.88 86.95 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.777 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.4 t80 -62.66 -39.15 92.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.471 -1.017 . . . . 0.0 109.762 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.542 HG21 HD12 ' C' ' 10' ' ' ILE . 0.2 OUTLIER -61.64 -33.5 74.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.422 -0.799 . . . . 0.0 110.212 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.027 HG22 HD12 ' C' ' 3' ' ' ILE . 42.9 t -76.25 -22.69 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.837 . . . . 0.0 110.794 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -93.13 -45.72 7.76 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.053 -1.03 . . . . 0.0 109.1 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 18' ' ' TYR . 49.3 t -56.44 -32.28 35.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.679 -0.638 . . . . 0.0 110.347 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.901 HD21 HG13 ' B' ' 7' ' ' ILE . 0.2 OUTLIER -90.31 -33.54 16.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 0.0 110.362 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.79 -57.08 3.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.94 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -30.47 71.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.254 -0.904 . . . . 0.0 110.399 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 52.27 59.64 14.23 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.258 -0.901 . . . . 0.0 110.367 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.66 151.82 64.18 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.594 1.312 . . . . 0.0 110.578 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.87 -36.8 5.7 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.685 1.36 . . . . 0.0 110.22 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.14 115.54 21.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.846 . . . . 0.0 110.103 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.705 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -70.95 -49.34 46.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 0.0 110.148 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -48.59 -60.9 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.303 -0.873 . . . . 0.0 110.084 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.47 -40.22 86.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.596 -0.69 . . . . 0.0 109.705 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -61.13 -48.53 81.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 109.469 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.11 -44.4 83.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG13 ' OG1' ' B' ' 39' ' ' THR . 74.3 t -69.74 -28.32 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.297 -0.877 . . . . 0.0 109.656 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -31.55 34.49 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.294 -0.879 . . . . 0.0 109.518 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -78.02 -64.47 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 0.0 110.082 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.425 ' HB3' HG23 ' B' ' 35' ' ' VAL . 9.2 m-85 -50.36 -43.25 54.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.323 -0.861 . . . . 0.0 110.651 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.567 ' OG1' HG13 ' B' ' 35' ' ' VAL . 19.9 m -58.61 -42.42 88.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.063 -1.023 . . . . 0.0 109.853 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -30.78 71.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 0.0 109.98 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.85 64.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.329 -0.857 . . . . 0.0 110.05 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.59 72.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.302 -0.874 . . . . 0.0 110.058 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.304 -0.872 . . . . 0.0 110.149 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.901 HG13 HD21 ' A' ' 23' ' ' LEU . 4.1 mp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.458 ' HD2' HG23 ' B' ' 7' ' ' ILE . 45.0 Cg_endo -72.16 135.12 24.37 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.701 1.369 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -74.89 -2.22 12.22 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.6 1.316 . . . . 0.0 111.523 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.35 -12.44 83.09 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' B' ' 11' ' ' LEU . 36.1 tp -80.27 -35.93 35.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.007 -1.29 . . . . 0.0 110.265 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -54.48 -66.48 0.39 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -27.44 22.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.395 -0.816 . . . . 0.0 110.353 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -61.01 1.96 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -0.946 . . . . 0.0 110.221 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.95 -53.63 53.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.336 -0.853 . . . . 0.0 110.497 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -43.53 34.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.186 -0.946 . . . . 0.0 110.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . -55.67 -51.62 53.72 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.14 -41.57 65.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -1.119 . . . . 0.0 110.097 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -55.06 -35.56 64.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.842 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -72.94 -25.01 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 0.0 110.383 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 17' ' ' GLY . 7.4 mm-40 -87.7 -52.66 5.19 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.2 -0.938 . . . . 0.0 109.109 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.554 HG13 HD11 ' B' ' 30' ' ' LEU . 79.8 t -47.18 -35.78 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.808 -0.557 . . . . 0.0 110.399 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.828 HD21 HG13 ' C' ' 18' ' ' VAL . 69.8 mt -90.13 -23.52 21.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -87.3 -22.39 25.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.267 -0.895 . . . . 0.0 110.633 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.44 -32.95 10.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 0.0 110.702 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.469 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.2 mm100 53.7 51.57 8.65 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.128 -0.982 . . . . 0.0 110.075 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 45.5 Cg_endo -70.77 155.04 63.37 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.672 1.354 . . . . 0.0 110.621 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -71.55 -35.05 8.52 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.712 1.375 . . . . 0.0 110.144 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -123.62 121.01 34.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.841 . . . . 0.0 109.949 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.554 HD11 HG13 ' B' ' 22' ' ' VAL . 0.3 OUTLIER -74.48 -44.16 52.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 0.0 110.566 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -49.41 -58.64 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.227 -0.921 . . . . 0.0 110.107 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.71 -38.53 81.9 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.59 -0.693 . . . . 0.0 109.776 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -62.28 -49.74 74.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 109.44 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.6 79.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.342 -0.849 . . . . 0.0 109.723 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.567 HG13 ' OG1' ' A' ' 39' ' ' THR . 71.7 t -68.8 -31.49 50.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.276 -0.89 . . . . 0.0 109.656 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.59 -30.14 36.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.44 -0.787 . . . . 0.0 109.349 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -78.8 -61.57 1.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 0.0 110.397 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -54.11 -50.34 67.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 0.0 110.332 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.614 ' OG1' HG13 ' A' ' 35' ' ' VAL . 22.5 m -50.63 -45.66 57.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.209 -0.932 . . . . 0.0 110.029 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -24.18 66.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.13 -0.981 . . . . 0.0 109.987 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.09 -24.12 62.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.293 -0.879 . . . . 0.0 110.415 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -83.59 -24.19 31.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.217 -0.927 . . . . 0.0 110.199 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.264 -0.897 . . . . 0.0 110.31 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.701 HD12 HG23 ' C' ' 3' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 120.898 0.38 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 1.027 HD12 HG22 ' A' ' 20' ' ' VAL . 40.4 pt -50.32 -29.78 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.878 -1.139 . . . . 0.0 110.474 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' GLU . . . . . 0.435 ' N ' HG13 ' C' ' 3' ' ' ILE . 16.9 tp10 -49.63 -30.4 8.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.349 -0.845 . . . . 0.0 110.935 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.24 -49.15 3.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 0.0 110.312 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.31 65.61 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.253 -0.905 . . . . 0.0 110.416 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' C' ' 10' ' ' ILE . . . -75.78 -29.55 58.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.034 -1.041 . . . . 0.0 109.339 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' C' ' 4' ' ' GLU . 2.8 t -65.97 -37.96 87.33 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.538 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.06 -36.27 81.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 0.0 109.454 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' C' ' 7' ' ' ALA . 56.1 mt -54.23 -38.17 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 0.0 109.204 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.587 ' O ' HG22 ' C' ' 15' ' ' ILE . 91.9 t -66.79 -45.99 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 110.112 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -35.11 69.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 0.0 110.961 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.84 43.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.108 -0.995 . . . . 0.0 110.745 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.442 HG21 HD23 ' A' ' 15' ' ' LEU . 55.2 t -81.03 -39.22 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.007 . . . . 0.0 109.517 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.587 HG22 ' O ' ' C' ' 11' ' ' VAL . 1.3 tt -72.19 -20.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 0.0 109.721 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -87.91 -29.16 21.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.283 -0.885 . . . . 0.0 110.127 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -88.17 -44.04 11.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.326 -0.858 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.828 HG13 HD21 ' B' ' 23' ' ' LEU . 61.0 t . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.889 . . . . 0.0 110.215 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.934 HG21 ' O ' ' C' ' 18' ' ' VAL . 2.2 pp . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.69 129.67 13.84 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.624 1.328 . . . . 0.0 110.383 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.37 159.18 47.2 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 123.465 1.245 . . . . 0.0 110.393 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 117.86 -15.93 12.35 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -30.74 70.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.042 -1.269 . . . . 0.0 110.616 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.3 m -73.12 -35.86 66.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.207 -0.933 . . . . 0.0 110.721 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -80.84 -23.36 39.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.216 -0.928 . . . . 0.0 110.643 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 10' ' ' GLY . 2.2 mt -82.83 -42.15 18.2 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.14 -0.975 . . . . 0.0 110.779 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.432 HD23 HG21 ' C' ' 14' ' ' VAL . 5.5 mp -68.68 -51.22 44.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.201 -0.937 . . . . 0.0 110.938 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.1 mp0 -62.26 -39.69 93.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.072 -1.017 . . . . 0.0 109.616 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.49 -28.71 56.25 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.223 -1.951 . . . . 0.0 108.223 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.733 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 6.6 t80 -82.28 -47.76 12.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.769 -0.842 . . . . 0.0 109.485 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -26.84 40.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.327 -0.858 . . . . 0.0 109.458 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 16' ' ' GLN . 78.8 t -77.81 -76.28 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.529 -0.732 . . . . 0.0 110.808 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 9.6 pt-20 -47.34 -44.83 24.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.285 -0.884 . . . . 0.0 111.17 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG22 ' CE2' ' A' ' 33' ' ' PHE . 89.2 t -54.57 -51.02 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.918 -1.113 . . . . 0.0 109.755 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.467 HD12 HG23 ' C' ' 3' ' ' ILE . 14.0 mt -68.21 -12.53 61.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 0.0 110.402 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -70.04 0.74 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 0.0 110.469 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -27.75 15.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.14 -0.975 . . . . 0.0 110.185 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.16 59.27 16.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.926 . . . . 0.0 110.382 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.75 147.07 49.81 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.703 1.37 . . . . 0.0 110.402 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.3 -21.97 34.86 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 O-C-N 123.698 1.367 . . . . 0.0 110.621 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.58 114.53 18.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.145 -0.972 . . . . 0.0 110.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.59 HD13 ' C ' ' A' ' 30' ' ' LEU . 2.4 tm? -75.35 -51.07 14.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -0.82 . . . . 0.0 109.492 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 31' ' ' VAL . 43.1 t -52.17 -49.4 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 0.0 109.576 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -66.82 -36.31 82.08 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.758 -0.589 . . . . 0.0 109.965 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CE2' HG22 ' A' ' 22' ' ' VAL . 91.3 t80 -65.95 -34.69 78.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 0.0 109.725 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.733 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -68.26 -37.15 80.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 0.0 109.945 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG13 ' OG1' ' B' ' 39' ' ' THR . 78.3 t -70.09 -27.43 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.27 -0.894 . . . . 0.0 110.047 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.52 -34.24 27.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.223 -0.923 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 87.5 t80 -75.27 -60.47 2.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.132 -0.98 . . . . 0.0 110.17 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.617 ' HE1' HD22 ' A' ' 14' ' ' LEU . 6.6 m-85 -55.13 -43.81 74.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 110.271 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HG13 ' B' ' 35' ' ' VAL . 23.6 m -61.64 -36.96 82.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.078 -1.014 . . . . 0.0 109.722 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -28.27 68.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.266 -0.896 . . . . 0.0 109.602 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.49 -34.33 67.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 109.969 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -56.47 -27.31 56.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 0.0 109.731 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 109.928 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' B' ' 8' ' ' PRO . 7.4 mt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' B' ' 7' ' ' ILE . 46.5 Cg_endo -72.72 137.19 26.88 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.65 1.342 . . . . 0.0 110.58 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.61 164.29 34.1 Favored 'Trans proline' 0 C--N 1.312 -1.391 0 O-C-N 123.567 1.298 . . . . 0.0 110.157 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.48 -37.8 3.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -56.25 -49.29 74.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.268 -1.136 . . . . 0.0 110.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.8 m -60.05 -47.24 86.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.105 -0.997 . . . . 0.0 110.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.73 -30.42 68.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' B' ' 14' ' ' LEU . 25.8 tp -69.89 -41.57 74.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.161 -0.962 . . . . 0.0 110.332 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.31 -45.69 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 110.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.683 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -55.73 -36.92 67.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.194 -0.941 . . . . 0.0 109.752 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.49 -48.35 74.43 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 108.996 -1.641 . . . . 0.0 108.996 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.64 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.3 t80 -59.78 -53.46 57.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -1.107 . . . . 0.0 109.83 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.53 HG23 ' CG2' ' C' ' 18' ' ' VAL . 85.0 m -51.14 -36.51 41.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.319 -0.863 . . . . 0.0 110.366 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.683 HG23 ' O ' ' B' ' 16' ' ' GLN . 49.1 t -65.87 -74.93 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.226 -0.921 . . . . 0.0 110.313 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.412 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 7.4 pt-20 -45.4 -38.9 6.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.385 -0.822 . . . . 0.0 110.977 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 18' ' ' TYR . 43.7 t -54.34 -46.42 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 0.0 110.083 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.737 HD21 HG13 ' C' ' 18' ' ' VAL . 2.9 mm? -67.63 -27.04 66.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.089 -1.007 . . . . 0.0 110.256 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.18 -66.88 0.83 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.892 . . . . 0.0 110.194 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.401 ' O ' ' HD3' ' B' ' 27' ' ' PRO . 0.5 OUTLIER -84.91 55.78 3.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.892 . . . . 0.0 110.387 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -36.13 96.31 0.1 Allowed Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 122.037 -0.414 . . . . 0.0 111.782 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' B' ' 25' ' ' GLN . 49.9 Cg_endo -79.75 169.55 18.04 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.897 1.472 . . . . 0.0 110.384 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.38 -35.68 7.96 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.69 1.363 . . . . 0.0 110.02 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -154.69 118.3 4.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -0.839 . . . . 0.0 110.006 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.642 ' H ' HD12 ' B' ' 30' ' ' LEU . 3.6 mp -53.84 -27.6 30.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.881 . . . . 0.0 110.049 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.447 ' O ' HG23 ' B' ' 35' ' ' VAL . 39.3 t -52.68 -50.7 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.487 -0.758 . . . . 0.0 109.72 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.3 -50.11 29.47 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.579 -0.701 . . . . 0.0 109.917 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -54.88 -53.04 60.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 0.0 109.508 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.34 -39.13 21.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.515 -0.741 . . . . 0.0 110.42 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.569 HG13 ' OG1' ' A' ' 39' ' ' THR . 84.5 t -77.4 -32.36 18.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.144 -0.973 . . . . 0.0 109.96 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -25.73 40.09 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 0.0 109.623 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.412 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 65.5 t80 -80.26 -64.2 1.24 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 0.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.402 ' HB3' HG23 ' A' ' 35' ' ' VAL . 20.6 m-85 -54.77 -44.98 74.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.178 -0.951 . . . . 0.0 110.589 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.449 ' OG1' HG13 ' A' ' 35' ' ' VAL . 34.0 m -56.27 -46.49 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.031 -1.043 . . . . 0.0 110.141 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -25.32 65.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.175 -0.953 . . . . 0.0 110.132 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.71 -31.73 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.21 -0.931 . . . . 0.0 110.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -54.37 -27.37 35.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.917 . . . . 0.0 109.95 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 0.0 110.01 179.646 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.46 ' HA ' HD22 ' C' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.184 0.516 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.467 HG23 HD12 ' A' ' 23' ' ' LEU . 55.7 mt -70.91 -56.5 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.05 -1.031 . . . . 0.0 109.949 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.61 -16.89 28.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 110.167 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -86.31 -49.27 7.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.202 -0.937 . . . . 0.0 109.551 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ALA . . . . . 0.409 ' CB ' HD11 ' B' ' 7' ' ' ILE . . . -65.56 -34.13 77.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.244 -0.91 . . . . 0.0 109.419 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.439 ' O ' ' HB ' ' C' ' 10' ' ' ILE . . . -77.8 -21.74 51.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.298 -0.876 . . . . 0.0 109.267 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -40.16 76.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.107 -0.996 . . . . 0.0 108.9 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -36.8 80.04 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.38 -0.825 . . . . 0.0 109.24 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' C' ' 10' ' ' ILE . 5.5 mm -54.19 -44.67 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.364 -0.835 . . . . 0.0 108.886 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.443 HG23 ' CD ' ' A' ' 16' ' ' GLN . 75.3 t -53.63 -45.04 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.311 -0.868 . . . . 0.0 109.765 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.71 -36.07 81.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 0.0 110.773 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.52 -18.33 41.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 0.0 111.007 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.432 HG21 HD23 ' A' ' 15' ' ' LEU . 75.2 t -91.65 -24.42 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.952 -1.092 . . . . 0.0 109.769 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.3 -24.12 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.292 -0.88 . . . . 0.0 109.43 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -72.46 -20.37 61.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 0.0 110.409 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.94 -31.43 6.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 0.0 110.804 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.934 ' O ' HG21 ' A' ' 7' ' ' ILE . 42.0 t . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.067 -1.021 . . . . 0.0 110.761 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.24 112.78 3.41 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.583 1.307 . . . . 0.0 110.811 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -80.28 178.06 7.53 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.535 1.281 . . . . 0.0 110.137 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 116.48 9.39 11.51 Favored Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.867 -1.158 . . . . 0.0 110.372 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.78 0.86 57.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.942 -1.329 . . . . 0.0 110.685 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.966 HG23 HG11 ' C' ' 11' ' ' VAL . 87.1 m -80.38 -68.6 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.008 -1.057 . . . . 0.0 110.555 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -26.52 10.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -0.83 . . . . 0.0 110.449 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 10' ' ' GLY . 32.7 mt -75.68 -37.08 59.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.873 . . . . 0.0 110.354 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.794 HD21 HD11 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -81.83 -55.91 4.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 0.0 110.513 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -47.26 55.84 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 0.0 110.094 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -56.56 -50.55 62.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.436 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 12.5 t80 -53.03 -43.95 66.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.476 -1.014 . . . . 0.0 109.806 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.64 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -58.59 -33.27 69.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 0.0 110.282 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.39 -27.0 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 110.878 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.8 mt-10 -77.32 -52.68 8.77 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.904 -1.123 . . . . 0.0 109.002 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 18' ' ' TYR . 40.0 t -58.5 -34.38 50.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.764 -0.585 . . . . 0.0 110.265 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 19' ' ' THR . 2.3 mm? -73.04 -36.12 66.87 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 110.522 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.37 -50.17 8.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.17 -0.956 . . . . 0.0 110.349 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -41.04 72.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 0.0 110.346 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 52.31 63.86 8.35 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.361 -0.837 . . . . 0.0 110.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.45 159.69 50.72 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.749 1.394 . . . . 0.0 110.613 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.97 -23.92 24.73 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.704 1.371 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -141.22 114.95 9.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.925 . . . . 0.0 110.141 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.18 -31.53 71.14 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -0.908 . . . . 0.0 110.155 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.97 -60.85 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.136 -0.978 . . . . 0.0 109.865 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.53 -43.57 93.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.649 -0.657 . . . . 0.0 109.964 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 109.928 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.48 -41.32 80.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 109.555 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG13 ' OG1' ' B' ' 39' ' ' THR . 76.1 t -75.88 -36.63 32.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.384 -0.822 . . . . 0.0 109.819 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.11 64.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.23 -0.919 . . . . 0.0 109.657 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -73.15 -64.26 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 0.0 109.959 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.97 -51.72 55.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.236 -0.915 . . . . 0.0 110.293 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.434 ' OG1' HG13 ' B' ' 35' ' ' VAL . 57.1 m -54.59 -36.58 64.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.168 -0.957 . . . . 0.0 109.783 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -70.76 -33.37 70.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.0 109.691 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -23.97 67.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.361 -0.837 . . . . 0.0 109.957 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -66.54 -38.55 87.4 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.408 -0.808 . . . . 0.0 109.715 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.837 . . . . 0.0 110.049 179.859 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.11 115.44 4.32 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.525 1.276 . . . . 0.0 110.397 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.06 179.15 6.03 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 O-C-N 123.454 1.239 . . . . 0.0 110.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.98 -27.32 16.92 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.08 68.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -1.147 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.6 m -71.56 -33.17 68.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 0.0 110.212 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.74 -63.39 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.949 . . . . 0.0 110.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.25 -29.64 15.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 110.379 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.794 HD11 HD21 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.89 -53.38 11.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.9 . . . . 0.0 110.44 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -49.14 50.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.038 -1.039 . . . . 0.0 110.263 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.1 -47.52 66.81 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.753 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.3 t80 -55.23 -53.48 55.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 0.0 109.69 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.449 ' OG1' HG13 ' C' ' 14' ' ' VAL . 87.9 m -47.73 -43.37 26.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.85 . . . . 0.0 110.53 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.57 -74.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.368 -0.833 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 10.7 pt-20 -45.53 -39.52 7.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.458 -0.776 . . . . 0.0 111.149 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.971 HG13 HD21 ' B' ' 30' ' ' LEU . 63.6 t -52.93 -37.79 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.924 -1.11 . . . . 0.0 109.809 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.815 HD11 ' HA ' ' C' ' 18' ' ' VAL . 5.1 mt -84.0 -50.76 7.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 0.0 110.155 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -65.18 0.71 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -54.48 -36.11 63.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.249 -0.907 . . . . 0.0 110.339 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.406 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.0 tt0 51.92 55.57 15.36 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.937 . . . . 0.0 110.168 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 43.9 Cg_endo -69.97 153.79 67.6 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.698 1.367 . . . . 0.0 110.624 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.8 -37.99 6.04 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.727 1.382 . . . . 0.0 110.413 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -116.58 117.02 28.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.282 -0.886 . . . . 0.0 110.296 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.971 HD21 HG13 ' B' ' 22' ' ' VAL . 0.2 OUTLIER -72.01 -41.44 67.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 0.0 109.66 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.26 -64.85 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 0.0 109.693 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -33.99 61.07 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.563 -0.711 . . . . 0.0 109.795 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.4 -45.99 85.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 0.0 109.515 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.731 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -51.74 -37.36 50.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.416 -0.802 . . . . 0.0 110.245 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.434 HG13 ' OG1' ' A' ' 39' ' ' THR . 99.1 t -70.95 -53.48 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.292 -0.88 . . . . 0.0 110.439 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.44 -49.78 54.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 0.0 110.909 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -59.79 -71.36 0.13 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.095 -1.003 . . . . 0.0 110.512 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.28 -48.21 46.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.298 -0.876 . . . . 0.0 110.827 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' HG13 ' A' ' 35' ' ' VAL . 55.3 m -51.57 -41.6 61.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.063 -1.023 . . . . 0.0 110.055 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.54 -33.43 75.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.179 -0.95 . . . . 0.0 109.897 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.15 -24.6 37.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 0.0 110.051 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -30.59 68.8 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.233 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 C--N 1.304 -1.411 0 O-C-N 121.399 -0.813 . . . . 0.0 109.48 179.723 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.247 0.546 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 30.1 mt -62.69 -42.92 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.235 -0.916 . . . . 0.0 110.202 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.57 -13.19 58.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 110.336 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.88 -47.59 8.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -1.0 . . . . 0.0 109.986 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.06 -28.26 57.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 0.0 109.996 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.64 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -76.58 -35.96 57.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.118 -0.989 . . . . 0.0 109.77 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 20.6 p -69.25 -29.48 67.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 109.636 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -38.76 32.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.329 -0.857 . . . . 0.0 109.874 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.597 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER -54.98 -34.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 0.0 109.222 179.473 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.966 HG11 HG23 ' A' ' 12' ' ' THR . 94.9 t -72.32 -44.34 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 110.031 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.43 -28.6 20.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.419 -0.801 . . . . 0.0 110.965 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.87 -44.29 18.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.086 -1.009 . . . . 0.0 110.333 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.745 ' O ' HG23 ' C' ' 18' ' ' VAL . 59.4 t -67.11 -33.84 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.0 109.625 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.401 HG23 HD12 ' C' ' 15' ' ' ILE . 33.5 mm -70.09 -39.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.379 -0.826 . . . . 0.0 109.717 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.37 -25.76 65.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.274 -0.891 . . . . 0.0 110.103 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -78.93 -36.57 41.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.194 -0.941 . . . . 0.0 109.971 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.815 ' HA ' HD11 ' B' ' 23' ' ' LEU . 52.9 t . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.931 . . . . 0.0 110.586 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.6 mp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.53 122.81 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.465 1.245 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.25 176.59 9.4 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 123.495 1.26 . . . . 0.0 110.367 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.05 -30.97 5.85 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 11' ' ' LEU . 19.5 tp -61.97 -17.87 58.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.271 -1.135 . . . . 0.0 110.458 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.835 HG23 HG11 ' C' ' 11' ' ' VAL . 13.2 m -71.81 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.165 -0.959 . . . . 0.0 110.53 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -27.51 68.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.356 -0.84 . . . . 0.0 110.711 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.31 -55.61 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.106 -0.996 . . . . 0.0 110.485 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.647 HD22 HD22 ' B' ' 15' ' ' LEU . 54.5 mt -61.13 -43.18 99.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.2 -0.937 . . . . 0.0 110.49 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.558 ' HG3' HG21 ' C' ' 11' ' ' VAL . 1.1 tt0 -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.0 110.044 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.52 -48.78 68.33 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.056 -1.617 . . . . 0.0 109.056 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.727 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 10.0 t80 -55.85 -34.97 65.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -1.082 . . . . 0.0 109.659 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.561 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.35 -30.7 67.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.39 -0.818 . . . . 0.0 109.936 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 96.7 t -75.7 -20.26 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 0.0 110.433 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 1.0 OUTLIER -95.61 -58.65 2.06 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.171 -0.956 . . . . 0.0 109.349 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 30' ' ' LEU . 96.0 t -50.63 -29.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.626 -0.671 . . . . 0.0 110.36 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' HG23 ' C' ' 3' ' ' ILE . 87.3 mt -90.21 -38.73 13.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 0.0 110.334 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -76.69 -51.51 11.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 0.0 110.507 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -73.34 -28.42 62.05 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.183 -0.948 . . . . 0.0 110.066 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.5 58.23 16.28 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 0.0 110.166 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.17 149.31 64.12 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.695 1.366 . . . . 0.0 110.674 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.32 -23.35 24.17 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.778 1.409 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 5.4 p-10 -127.37 125.36 40.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -90.16 -51.01 5.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 0.0 110.216 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.4 t -48.86 -63.36 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.362 -0.837 . . . . 0.0 110.214 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -57.94 -34.5 69.95 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.456 -0.777 . . . . 0.0 109.975 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 51.6 t80 -68.32 -43.91 76.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 0.0 109.582 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.727 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.65 -30.92 65.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 0.0 109.732 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 31' ' ' VAL . 50.3 t -70.74 -50.68 42.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.316 -0.865 . . . . 0.0 109.975 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.9 -39.69 74.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -0.854 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -68.5 -68.07 0.42 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.239 -0.913 . . . . 0.0 110.666 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.11 -48.95 64.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 0.0 110.695 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.414 ' OG1' HG13 ' B' ' 35' ' ' VAL . 56.8 m -50.73 -38.73 49.11 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 110.328 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -36.93 56.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.943 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.66 61.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 0.0 109.688 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.657 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -59.77 -36.63 77.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.32 -0.863 . . . . 0.0 109.724 179.707 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.444 -0.785 . . . . 0.0 110.057 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.79 116.32 4.51 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.506 1.266 . . . . 0.0 110.259 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.01 -177.34 2.23 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 O-C-N 123.486 1.256 . . . . 0.0 110.605 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.78 -24.82 24.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.06 -44.78 68.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -1.137 . . . . 0.0 110.151 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -57.58 -41.44 81.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 0.0 110.527 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.41 -51.49 51.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.227 -0.921 . . . . 0.0 110.643 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.4 -42.19 81.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.898 . . . . 0.0 110.818 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 15' ' ' LEU . 57.6 mt -69.1 -37.57 78.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.067 -1.021 . . . . 0.0 110.639 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.417 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -56.21 -53.89 51.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.13 -0.981 . . . . 0.0 110.162 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.28 95.65 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.461 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 53.8 t80 -65.08 -50.64 65.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.324 -1.104 . . . . 0.0 109.98 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.524 ' OG1' HG13 ' C' ' 14' ' ' VAL . 45.4 m -51.68 -33.65 34.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 0.0 110.123 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 16' ' ' GLN . 42.1 t -65.77 -70.81 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 0.0 110.044 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' B' ' 37' ' ' TYR . 9.9 pt-20 -45.25 -38.3 5.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 0.0 111.002 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.433 ' N ' ' HG3' ' B' ' 21' ' ' GLU . 42.2 t -54.95 -43.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.048 -1.032 . . . . 0.0 109.624 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.76 HD11 ' HA ' ' C' ' 18' ' ' VAL . 7.3 mt -75.57 -40.29 56.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 0.0 110.066 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -43.06 96.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 110.233 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.06 60.94 0.66 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 0.0 110.264 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -38.05 96.13 0.11 Allowed Pre-proline 0 N--CA 1.502 2.151 0 O-C-N 121.948 -0.47 . . . . 0.0 111.436 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -87.74 157.88 7.58 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.978 1.515 . . . . 0.0 110.517 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.96 -39.78 3.94 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.599 1.315 . . . . 0.0 110.038 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.97 119.82 23.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.867 . . . . 0.0 109.91 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -26.28 59.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 110.352 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.657 HG12 ' HG2' ' A' ' 42' ' ' ARG . 41.3 t -52.17 -60.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.156 -0.965 . . . . 0.0 109.831 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.1 -45.21 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.631 -0.668 . . . . 0.0 110.254 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.51 -50.23 73.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.236 -0.915 . . . . 0.0 109.697 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.461 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -49.94 -36.21 26.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.342 -0.849 . . . . 0.0 110.354 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.414 HG13 ' OG1' ' A' ' 39' ' ' THR . 87.5 t -71.73 -45.73 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.187 -0.946 . . . . 0.0 110.169 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.66 -38.61 85.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 0.0 110.61 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.468 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 52.5 t80 -70.27 -69.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.186 -0.947 . . . . 0.0 110.416 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -49.1 -45.27 43.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.257 -0.902 . . . . 0.0 110.673 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.544 ' OG1' HG13 ' A' ' 35' ' ' VAL . 48.2 m -57.92 -41.79 83.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.88 44.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 110.197 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' B' ' 37' ' ' TYR . 5.0 tp -70.47 -21.69 62.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.51 47.93 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.166 -0.959 . . . . 0.0 109.954 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 0.0 110.632 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.086 0.47 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 23' ' ' LEU . 17.4 mt -72.19 -42.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.029 -1.045 . . . . 0.0 110.182 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.92 -20.53 16.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.933 . . . . 0.0 110.172 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -94.28 -47.33 6.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.732 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.71 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.314 -0.866 . . . . 0.0 109.839 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.634 ' O ' HG22 ' C' ' 10' ' ' ILE . . . -75.49 -31.56 60.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.966 . . . . 0.0 109.305 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 45.6 t -64.88 -28.45 69.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 0.0 109.945 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -78.6 -39.91 36.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.99 . . . . 0.0 110.281 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.634 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER -54.5 -33.44 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 109.501 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.835 HG11 HG23 ' A' ' 12' ' ' THR . 85.7 t -72.48 -43.62 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.56 -0.712 . . . . 0.0 109.982 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' C' ' 15' ' ' ILE . 45.0 t0 -52.74 -34.91 54.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 111.177 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.21 35.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 0.0 110.718 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.524 HG13 ' OG1' ' B' ' 19' ' ' THR . 75.4 t -75.37 -34.44 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 0.0 110.006 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.831 HG22 ' O ' ' C' ' 11' ' ' VAL . 2.6 tp -76.9 -21.08 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.0 110.14 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.26 -20.45 59.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 0.0 110.282 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -102.85 -20.52 14.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 0.0 110.611 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.76 ' HA ' HD11 ' B' ' 23' ' ' LEU . 5.1 p . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 0.0 110.192 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.6 mp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.28 111.75 2.99 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.601 1.316 . . . . 0.0 110.94 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.51 -163.02 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.296 0 O-C-N 123.689 1.363 . . . . 0.0 110.266 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.82 -39.91 2.98 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.84 ' HG ' HD13 ' A' ' 15' ' ' LEU . 12.7 tp -54.23 -25.98 26.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -1.206 . . . . 0.0 110.177 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.628 HG23 HG11 ' C' ' 11' ' ' VAL . 24.2 m -56.68 -62.74 1.52 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.217 -0.927 . . . . 0.0 110.192 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.17 -47.38 81.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.912 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.412 HD21 HG22 ' B' ' 31' ' ' VAL . 0.8 OUTLIER -55.25 -39.64 70.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 110.371 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.84 HD13 ' HG ' ' A' ' 11' ' ' LEU . 3.8 mp -73.95 -56.11 5.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 0.0 110.493 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.1 OUTLIER -52.74 -43.81 66.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 0.0 109.989 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.47 78.52 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.6 t80 -67.26 -49.18 65.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.555 -0.968 . . . . 0.0 109.783 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -51.85 -34.99 43.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 0.0 110.105 179.574 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -70.34 -74.48 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.387 -0.821 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -43.96 -44.14 7.01 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.546 -0.721 . . . . 0.0 111.52 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' TYR . 97.7 t -53.85 -46.04 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.936 -1.103 . . . . 0.0 110.194 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.675 HD11 ' HD2' ' B' ' 8' ' ' PRO . 0.1 OUTLIER -81.13 -17.48 49.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.242 -0.911 . . . . 0.0 110.459 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -88.7 -59.05 2.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 0.0 110.622 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.33 -28.17 61.92 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.19 -0.944 . . . . 0.0 110.146 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 51.65 68.87 2.86 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 0.0 110.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.41 164.7 34.84 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.699 1.368 . . . . 0.0 110.872 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.47 -39.4 5.19 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.804 1.423 . . . . 0.0 110.355 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -134.8 129.09 34.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 0.0 110.13 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.1 -40.3 65.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.153 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -50.65 -63.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 110.06 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.54 -35.16 73.67 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.497 -0.752 . . . . 0.0 110.134 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.18 -46.82 76.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.205 -0.934 . . . . 0.0 109.58 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.608 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.07 -37.68 61.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.804 . . . . 0.0 110.24 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.476 HG13 ' OG1' ' B' ' 39' ' ' THR . 86.8 t -69.38 -51.27 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 0.0 110.198 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.9 -44.65 82.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 110.733 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -62.86 -58.37 7.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.169 -0.957 . . . . 0.0 110.886 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -64.78 -43.88 91.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.184 -0.948 . . . . 0.0 110.973 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.518 ' OG1' HG13 ' B' ' 35' ' ' VAL . 79.7 m -56.37 -24.96 47.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.98 -1.075 . . . . 0.0 110.319 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.81 26.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 0.0 110.525 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -26.84 59.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.209 -0.932 . . . . 0.0 110.257 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' HB2' HG12 ' B' ' 31' ' ' VAL . 23.3 tpt180 -71.15 -25.42 62.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.189 -0.944 . . . . 0.0 109.434 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 110.062 179.761 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.66 HG23 HD11 ' A' ' 23' ' ' LEU . 3.0 mp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.675 ' HD2' HD11 ' A' ' 23' ' ' LEU . 43.2 Cg_endo -68.79 125.08 12.18 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.626 1.329 . . . . 0.0 110.565 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.78 169.98 21.1 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.494 1.26 . . . . 0.0 110.365 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.86 -24.41 26.49 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.02 -35.45 76.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -1.155 . . . . 0.0 110.195 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -71.74 -34.01 69.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -65.25 -61.07 2.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 110.051 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.3 -40.19 58.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 0.0 110.226 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 15' ' ' LEU . 0.7 OUTLIER -61.67 -49.06 78.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 110.191 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CA ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -49.42 -35.6 19.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.167 -0.958 . . . . 0.0 110.111 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.64 99.49 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.58 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.2 t80 -68.46 -54.33 17.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.42 -1.047 . . . . 0.0 109.971 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.674 ' OG1' HG13 ' C' ' 14' ' ' VAL . 38.0 m -47.97 -33.26 7.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.365 -0.834 . . . . 0.0 110.257 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.16 -72.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 0.0 109.726 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.59 -41.05 29.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.239 -0.913 . . . . 0.0 110.624 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 18' ' ' TYR . 64.0 t -56.29 -44.41 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 0.0 109.838 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.35 -30.07 33.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.359 -0.838 . . . . 0.0 110.16 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -61.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 0.0 110.167 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.12 -28.44 61.35 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.34 -0.85 . . . . 0.0 109.696 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 50.53 62.71 11.17 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.45 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.68 162.71 41.56 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.806 1.424 . . . . 0.0 110.61 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.88 -28.61 16.3 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.598 1.315 . . . . 0.0 110.681 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 33.0 p-10 -138.06 138.37 38.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 0.0 110.715 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.791 HD22 HD13 ' A' ' 11' ' ' LEU . 1.1 mt -89.99 -33.32 16.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.258 -0.902 . . . . 0.0 109.946 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.484 ' O ' HG23 ' B' ' 35' ' ' VAL . 35.6 t -52.6 -63.64 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.457 -0.777 . . . . 0.0 109.976 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.4 -42.66 99.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.402 -0.811 . . . . 0.0 109.931 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -59.35 -53.67 55.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.646 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -50.94 -40.69 57.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.394 -0.816 . . . . 0.0 110.354 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.518 HG13 ' OG1' ' A' ' 39' ' ' THR . 94.9 t -66.91 -47.4 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.936 . . . . 0.0 110.062 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.02 -31.17 72.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.146 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -74.39 -58.75 3.09 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.931 . . . . 0.0 110.023 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.39 -50.22 73.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 0.0 110.48 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' HG13 ' A' ' 35' ' ' VAL . 56.5 m -49.52 -44.95 46.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.163 -0.961 . . . . 0.0 110.507 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -64.61 -26.5 68.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.167 -0.958 . . . . 0.0 110.032 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -38.02 80.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.219 -0.925 . . . . 0.0 110.224 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -18.42 59.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 0.0 110.392 -179.86 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.822 0.344 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.642 HG12 HD22 ' A' ' 23' ' ' LEU . 4.1 mt -57.57 -39.65 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.82 -1.175 . . . . 0.0 109.787 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.54 -20.67 21.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.376 -0.828 . . . . 0.0 110.236 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -94.76 -46.77 6.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.0 110.044 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -30.35 68.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.206 -0.934 . . . . 0.0 109.946 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 19' ' ' THR . . . -75.84 -21.38 57.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 109.82 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -42.07 49.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 0.0 109.913 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -67.52 -39.44 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.93 . . . . 0.0 110.068 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.1 OUTLIER -56.11 -45.32 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 0.0 109.403 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.656 HG12 HD11 ' C' ' 15' ' ' ILE . 67.2 t -62.65 -28.43 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.157 -0.965 . . . . 0.0 109.973 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.97 -33.8 76.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 110.437 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ALA . . . . . 0.407 ' O ' ' NE2' ' C' ' 17' ' ' GLN . . . -71.68 -40.54 69.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 110.437 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.674 HG13 ' OG1' ' B' ' 19' ' ' THR . 38.9 t -67.44 -36.9 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.958 . . . . 0.0 109.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.656 HD11 HG12 ' C' ' 11' ' ' VAL . 51.9 mt -65.82 -29.47 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 0.0 109.907 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.02 -40.85 78.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.888 . . . . 0.0 110.192 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' C' ' 13' ' ' ALA . 0.0 OUTLIER -62.53 -49.06 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 0.0 110.227 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 7' ' ' ILE . 96.9 t . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 0.0 110.219 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.438 HG12 HG12 ' C' ' 18' ' ' VAL . 3.1 mp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.28 128.63 13.97 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.532 1.28 . . . . 0.0 110.701 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -79.14 168.83 19.94 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.578 1.304 . . . . 0.0 110.374 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.35 -18.98 46.97 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HG ' HD13 ' A' ' 15' ' ' LEU . 14.4 tp -53.84 -32.78 54.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -1.21 . . . . 0.0 110.463 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 HG11 ' C' ' 11' ' ' VAL . 26.3 m -53.41 -57.56 10.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 0.0 110.292 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.31 -26.14 62.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 0.0 110.337 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.06 -55.94 5.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.332 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.665 ' CD2' HG11 ' C' ' 14' ' ' VAL . 9.5 mp -72.27 -58.09 3.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.465 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.561 ' HG2' ' HB1' ' C' ' 7' ' ' ALA . 0.0 OUTLIER -50.87 -45.71 60.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.147 -0.971 . . . . 0.0 110.213 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -54.83 -38.75 65.49 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.5 t80 -63.86 -26.55 68.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -1.056 . . . . 0.0 109.506 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.598 ' CG2' ' HB2' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -77.56 -28.9 51.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.478 -0.764 . . . . 0.0 110.046 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 43.1 t -78.3 -22.08 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.837 . . . . 0.0 110.697 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -91.63 -53.31 4.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.096 -1.002 . . . . 0.0 109.341 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' TYR . 62.0 t -52.12 -40.25 29.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.488 -0.757 . . . . 0.0 110.368 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.521 HD11 HD12 ' B' ' 7' ' ' ILE . 0.2 OUTLIER -77.9 -38.16 46.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.969 . . . . 0.0 110.042 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.7 OUTLIER -69.24 -23.43 63.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.16 -0.962 . . . . 0.0 110.209 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 1.5 pt20 -142.41 66.06 1.34 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 110.343 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.76 98.09 0.15 Allowed Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.983 -0.448 . . . . 0.0 111.543 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -75.19 164.69 32.53 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.936 1.493 . . . . 0.0 110.442 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.17 -29.4 17.51 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.789 1.415 . . . . 0.0 110.354 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -148.67 123.9 10.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.912 . . . . 0.0 110.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD23 ' HG ' ' B' ' 14' ' ' LEU . 4.2 tp -68.16 -39.45 82.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.0 109.914 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 31' ' ' VAL . 40.3 t -52.52 -61.58 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.251 -0.906 . . . . 0.0 109.959 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -61.77 -35.53 78.4 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 0.0 110.15 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 90.3 t80 -68.28 -37.13 80.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.218 -0.926 . . . . 0.0 109.744 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -61.24 -34.31 74.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.308 -0.87 . . . . 0.0 110.073 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG13 ' OG1' ' B' ' 39' ' ' THR . 96.1 t -75.69 -50.97 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 O-C-N 121.238 -0.914 . . . . 0.0 110.339 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -37.13 65.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.831 . . . . 0.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -74.8 -63.39 1.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.174 -0.954 . . . . 0.0 110.465 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' HB3' ' CG2' ' B' ' 35' ' ' VAL . 3.4 m-85 -54.8 -43.06 72.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 0.0 110.544 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.52 ' OG1' HG13 ' B' ' 35' ' ' VAL . 36.1 m -59.54 -38.76 81.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.996 -1.065 . . . . 0.0 109.758 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.46 -27.54 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 0.0 109.838 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' HB3' HG13 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -69.45 -33.17 72.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 109.889 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' CD ' ' OD1' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -68.13 -30.06 69.12 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.263 -0.898 . . . . 0.0 109.682 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 0.0 109.908 179.725 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.572 ' O ' HG23 ' B' ' 7' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.4 142.67 37.43 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.589 1.31 . . . . 0.0 110.516 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.7 152.14 47.36 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.683 1.359 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.15 -31.14 6.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.52 -37.14 62.52 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -1.176 . . . . 0.0 110.135 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -62.29 -51.07 69.15 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -0.914 . . . . 0.0 110.016 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.57 -43.19 97.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.381 -0.824 . . . . 0.0 109.962 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 14' ' ' LEU . 0.6 OUTLIER -55.57 -52.78 62.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 0.0 110.038 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.15 -40.8 94.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.242 -0.911 . . . . 0.0 110.067 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -43.76 67.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 0.0 109.957 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -56.65 -55.77 28.19 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.94 ' O ' HG23 ' B' ' 22' ' ' VAL . 25.2 t80 -54.93 -43.02 72.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -1.167 . . . . 0.0 110.28 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 13.8 m -57.59 -52.34 65.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.87 . . . . 0.0 110.619 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.72 -23.99 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.188 -0.945 . . . . 0.0 110.356 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.45 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -89.83 -44.3 10.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.091 -1.006 . . . . 0.0 108.98 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.94 HG23 ' O ' ' B' ' 18' ' ' TYR . 45.5 t -53.44 -24.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.782 -0.574 . . . . 0.0 110.19 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.552 HD21 HG22 ' C' ' 18' ' ' VAL . 4.2 mm? -89.77 -49.65 6.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 110.119 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -71.01 0.14 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.891 . . . . 0.0 110.442 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.168 -0.958 . . . . 0.0 110.681 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 54.28 63.25 7.68 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.119 -0.988 . . . . 0.0 109.729 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.66 159.36 51.19 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.592 1.312 . . . . 0.0 110.662 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.19 -26.64 20.89 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.818 1.43 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -147.95 144.28 27.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 0.0 110.198 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 34' ' ' ALA . 0.8 OUTLIER -89.03 -23.76 22.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.254 -0.904 . . . . 0.0 110.287 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.463 ' O ' HG23 ' B' ' 35' ' ' VAL . 40.8 t -53.7 -64.06 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.184 -0.947 . . . . 0.0 110.015 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 42' ' ' ARG . 7.8 t0 -64.33 -48.2 76.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.506 -0.746 . . . . 0.0 109.841 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.418 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 29.4 t80 -54.67 -52.04 63.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.0 109.778 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' B' ' 30' ' ' LEU . . . -50.22 -44.26 53.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.396 -0.815 . . . . 0.0 110.486 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.52 HG13 ' OG1' ' A' ' 39' ' ' THR . 97.0 t -62.78 -38.48 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 121.129 -0.982 . . . . 0.0 110.075 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -71.06 -29.63 65.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 0.0 110.341 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -73.28 -71.33 0.31 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.0 110.457 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.495 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 20.2 m-85 -50.13 -50.09 49.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 0.0 110.611 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.546 ' OG1' HG13 ' A' ' 35' ' ' VAL . 53.4 m -51.67 -35.14 41.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.09 -1.007 . . . . 0.0 109.956 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.91 -43.49 68.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 0.0 109.952 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -39.14 71.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.295 -0.878 . . . . 0.0 110.083 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.424 ' O ' ' NH2' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.02 -51.27 62.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.888 . . . . 0.0 110.169 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.167 -0.958 . . . . 0.0 110.012 179.798 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' C' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.297 0.57 . . . . 0.0 110.169 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.405 ' CG1' HD22 ' A' ' 23' ' ' LEU . 2.7 mp -54.97 -54.98 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -0.949 . . . . 0.0 110.072 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -13.09 58.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 110.418 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 5' ' ' GLU . . . . . 0.541 ' HB3' HD13 ' C' ' 2' ' ' LEU . 16.9 tt0 -96.46 -42.31 8.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.964 . . . . 0.0 109.734 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ALA . . . . . 0.675 ' O ' HD13 ' C' ' 10' ' ' ILE . . . -70.35 -33.14 71.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 0.0 109.582 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.598 ' HB2' ' CG2' ' A' ' 19' ' ' THR . . . -75.11 -24.49 58.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.945 . . . . 0.0 109.42 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -38.51 78.74 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.379 -0.826 . . . . 0.0 109.798 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -69.46 -36.79 76.93 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.153 -0.967 . . . . 0.0 109.668 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.675 HD13 ' O ' ' C' ' 6' ' ' ALA . 1.2 mp -53.61 -44.8 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.281 -0.887 . . . . 0.0 108.75 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.652 ' O ' HG23 ' C' ' 15' ' ' ILE . 98.7 t -59.37 -49.81 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.397 -0.814 . . . . 0.0 109.763 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.54 -31.71 71.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 0.0 110.784 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.01 -21.92 25.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 110.722 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.691 ' O ' HG23 ' C' ' 18' ' ' VAL . 89.8 t -90.58 -27.08 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.025 -1.047 . . . . 0.0 109.635 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.652 HG23 ' O ' ' C' ' 11' ' ' VAL . 2.0 pp -85.66 -24.91 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.295 -0.878 . . . . 0.0 109.762 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.97 -34.99 75.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.45 -41.13 18.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.322 -0.861 . . . . 0.0 109.916 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.691 HG23 ' O ' ' C' ' 14' ' ' VAL . 57.8 t . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 110.058 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.03 112.94 3.68 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.476 1.251 . . . . 0.0 110.752 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -82.35 173.66 10.53 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.549 1.289 . . . . 0.0 110.231 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.68 7.97 61.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.61 -34.08 25.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.902 -1.352 . . . . 0.0 109.946 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.5 m -53.92 -67.81 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -0.851 . . . . 0.0 110.498 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.01 -36.02 37.2 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 0.0 110.668 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.14 -55.55 10.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.086 -1.009 . . . . 0.0 110.421 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -59.0 -53.05 62.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 0.0 110.453 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -28.3 13.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 0.0 110.191 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.37 -49.22 66.86 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.541 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.3 t80 -58.43 -49.64 76.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -1.095 . . . . 0.0 109.809 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.618 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -48.11 -39.37 20.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.331 -0.855 . . . . 0.0 110.447 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.27 -77.26 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 0.0 110.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.48 -44.79 17.87 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.425 -0.797 . . . . 0.0 111.157 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 18' ' ' TYR . 65.3 t -53.2 -35.29 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 0.0 109.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' C' ' 3' ' ' ILE . 1.1 mt -84.61 -25.91 28.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.083 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -60.1 2.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.83 . . . . 0.0 110.214 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.1 -31.69 63.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 110.166 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 50.41 58.68 17.07 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.264 -0.897 . . . . 0.0 110.337 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -71.55 156.47 57.86 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.717 1.377 . . . . 0.0 110.438 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.46 -14.51 30.83 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.652 1.343 . . . . 0.0 110.577 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.73 123.82 4.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 30' ' ' LEU . 4.6 mp -72.97 -29.42 63.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.216 -0.927 . . . . 0.0 109.992 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG12 ' CD ' ' B' ' 42' ' ' ARG . 20.0 t -56.18 -60.26 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.458 -0.776 . . . . 0.0 109.47 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.77 -44.28 86.28 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.476 -0.765 . . . . 0.0 109.532 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 31.5 t80 -57.69 -49.84 75.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.446 -0.784 . . . . 0.0 109.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.01 -38.73 62.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 0.0 109.963 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 31' ' ' VAL . 79.0 t -68.27 -48.51 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.364 -0.835 . . . . 0.0 110.1 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.27 -24.35 67.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.193 -0.942 . . . . 0.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.2 -67.93 0.71 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.147 -0.97 . . . . 0.0 110.218 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -55.43 -47.41 76.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 0.0 110.474 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.47 ' OG1' HG13 ' B' ' 35' ' ' VAL . 91.0 m -53.22 -50.18 65.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 110.212 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -64.57 -20.24 66.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.243 -0.911 . . . . 0.0 110.069 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.24 -47.79 80.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 109.996 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.517 ' HD2' HG11 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -47.77 -27.85 2.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.329 -0.857 . . . . 0.0 110.893 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.2 -0.937 . . . . 0.0 110.355 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.438 ' CG2' ' HD2' ' B' ' 8' ' ' PRO . 42.5 mm . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' B' ' 7' ' ' ILE . 44.5 Cg_endo -71.25 111.38 3.07 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.534 1.281 . . . . 0.0 110.441 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.21 179.41 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.54 1.284 . . . . 0.0 110.352 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.42 3.45 71.27 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.7 tp -87.64 -36.44 17.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.877 -1.366 . . . . 0.0 110.135 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 86.5 m -67.03 -35.57 80.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.231 -0.918 . . . . 0.0 110.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.05 -56.11 11.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 0.0 110.395 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -43.55 77.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 0.0 110.292 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.62 -42.03 92.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.884 . . . . 0.0 110.41 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.66 -36.92 57.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.925 -1.11 . . . . 0.0 109.754 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 21' ' ' GLU . . . -60.53 -53.16 47.78 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.422 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 9.4 t80 -59.6 -40.2 86.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -1.097 . . . . 0.0 110.243 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.838 ' OG1' HG13 ' C' ' 14' ' ' VAL . 90.1 m -49.31 -62.93 1.27 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.224 -0.922 . . . . 0.0 109.544 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.94 -42.4 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' B' ' 37' ' ' TYR . 1.2 tt0 -51.56 -64.87 0.67 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.572 0.701 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.09 -27.97 2.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.62 -0.675 . . . . 0.0 110.844 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.913 HD11 ' HA ' ' C' ' 18' ' ' VAL . 21.1 mt -84.6 -52.67 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.108 -0.995 . . . . 0.0 110.38 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -41.6 84.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 0.0 110.503 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.409 ' HB3' ' HD3' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -85.81 -36.72 19.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 0.0 110.316 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.4 tt0 51.96 54.47 14.26 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 0.0 110.124 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 49.5 Cg_endo -74.39 150.69 41.73 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.761 1.401 . . . . 0.0 110.597 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.81 -32.72 13.73 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.739 1.389 . . . . 0.0 110.329 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -116.56 120.44 38.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 110.131 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.49 -41.04 18.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.365 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.517 HG11 ' HD2' ' A' ' 42' ' ' ARG . 41.0 t -52.19 -66.05 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.242 -0.911 . . . . 0.0 109.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -38.17 71.09 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.396 -0.815 . . . . 0.0 109.702 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.413 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 26.1 t80 -62.76 -50.86 69.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.364 -0.835 . . . . 0.0 109.669 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.76 -37.77 68.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.321 -0.862 . . . . 0.0 110.09 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.47 HG13 ' OG1' ' A' ' 39' ' ' THR . 80.4 t -67.38 -43.47 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.358 -0.839 . . . . 0.0 110.25 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.74 -32.85 73.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 110.673 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 41.1 t80 -75.71 -67.15 0.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.123 -0.985 . . . . 0.0 110.704 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.24 -48.41 62.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.167 -0.958 . . . . 0.0 110.413 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -52.38 -50.33 62.65 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.256 -0.902 . . . . 0.0 110.247 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -63.01 -31.2 72.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 0.0 110.214 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -42.72 67.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 109.939 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.534 ' CD ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -52.0 -37.49 53.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.892 . . . . 0.0 110.366 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 0.0 110.303 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.19 0.519 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.545 ' H ' HD12 ' C' ' 3' ' ' ILE . 3.3 mp -74.43 -36.06 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 110.232 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -15.0 62.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.199 -0.938 . . . . 0.0 110.558 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.75 -41.89 7.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 0.0 109.996 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.05 63.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.28 -0.888 . . . . 0.0 109.788 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.647 ' O ' HG23 ' C' ' 11' ' ' VAL . . . -78.53 -20.0 51.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 109.652 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -35.63 48.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 0.0 110.069 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -82.75 -43.57 16.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 110.08 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.486 HG23 ' N ' ' C' ' 11' ' ' VAL . 12.3 tt -53.29 -42.05 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.1 -1.0 . . . . 0.0 109.603 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.647 HG23 ' O ' ' C' ' 7' ' ' ALA . 87.8 t -64.82 -44.62 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 0.0 109.324 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.54 -42.81 44.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.381 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.4 91.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.246 -0.908 . . . . 0.0 110.108 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.838 HG13 ' OG1' ' B' ' 19' ' ' THR . 40.9 t -71.72 -39.21 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 0.0 109.877 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.447 ' N ' HD12 ' C' ' 15' ' ' ILE . 1.6 mp -75.49 -21.71 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.123 -0.985 . . . . 0.0 109.476 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 0.0 110.022 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -37.88 62.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 0.0 110.17 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.913 ' HA ' HD11 ' B' ' 23' ' ' LEU . 95.2 t . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.373 -0.83 . . . . 0.0 110.076 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.519 HD13 HD21 ' B' ' 23' ' ' LEU . 1.7 tp . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -76.15 122.78 6.83 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.539 1.284 . . . . 0.0 110.089 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.03 169.85 19.52 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.392 1.206 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.04 -26.89 9.51 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -37.17 79.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -1.163 . . . . 0.0 110.387 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.615 HG23 ' CG1' ' C' ' 11' ' ' VAL . 98.1 m -56.31 -55.79 29.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.24 -0.913 . . . . 0.0 110.2 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -47.31 64.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.302 -0.874 . . . . 0.0 110.216 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.12 -50.54 72.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.0 110.126 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.798 HD21 HD12 ' B' ' 15' ' ' LEU . 1.2 mp -62.16 -51.15 68.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.994 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.408 ' HG3' HG21 ' C' ' 11' ' ' VAL . 1.9 tt0 -51.13 -41.91 60.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.246 -0.909 . . . . 0.0 110.188 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -58.04 -52.66 51.05 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.637 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.6 t80 -55.1 -25.36 30.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -1.113 . . . . 0.0 110.059 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.527 ' CG2' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.9 -38.36 73.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 0.0 110.349 -179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 59.4 t -73.91 -17.95 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.12 -0.988 . . . . 0.0 110.602 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 1.2 mt-10 -89.88 -49.12 6.8 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.032 -1.043 . . . . 0.0 108.927 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.716 HG11 HD11 ' B' ' 11' ' ' LEU . 76.3 t -51.97 -33.5 16.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.597 -0.689 . . . . 0.0 110.109 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.756 HD13 HG23 ' C' ' 3' ' ' ILE . 0.3 OUTLIER -87.44 -44.42 11.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -0.901 . . . . 0.0 110.161 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -61.96 -55.49 28.86 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.153 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.44 -34.03 65.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.288 -0.882 . . . . 0.0 110.095 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.409 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 52.2 55.52 14.98 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 0.0 110.182 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 26' ' ' GLN . 44.8 Cg_endo -71.17 152.38 61.86 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.709 1.373 . . . . 0.0 110.446 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.35 -24.14 23.17 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.754 1.397 . . . . 0.0 110.337 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -128.94 122.05 29.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.84 -37.01 30.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.263 -0.898 . . . . 0.0 109.884 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 t -53.56 -64.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.335 -0.853 . . . . 0.0 109.762 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.5 -38.12 71.32 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.504 -0.747 . . . . 0.0 109.946 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.52 -48.79 76.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 109.947 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.14 -30.72 64.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.391 -0.818 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.648 HG13 ' OG1' ' B' ' 39' ' ' THR . 91.2 t -74.78 -36.67 40.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.242 -0.912 . . . . 0.0 110.39 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.48 -31.68 62.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.205 -0.934 . . . . 0.0 110.538 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 24.2 t80 -75.68 -66.71 0.75 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 0.0 110.51 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.54 -47.75 48.83 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.25 -0.906 . . . . 0.0 110.545 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.553 ' OG1' HG13 ' B' ' 35' ' ' VAL . 27.8 m -53.47 -42.44 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.078 -1.014 . . . . 0.0 109.921 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -68.6 -37.73 80.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.179 -0.951 . . . . 0.0 110.006 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.15 -24.8 67.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 0.0 110.158 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -69.94 -25.54 63.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.261 -0.899 . . . . 0.0 109.551 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.352 -0.842 . . . . 0.0 109.83 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.18 129.86 16.74 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.477 1.251 . . . . 0.0 110.335 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.03 174.36 12.11 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.514 1.271 . . . . 0.0 110.536 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.35 -27.49 13.8 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.716 HD11 HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -65.43 -45.18 84.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.222 -1.163 . . . . 0.0 110.291 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.5 m -67.37 -36.07 80.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.18 -0.95 . . . . 0.0 110.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.56 -46.31 89.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.373 -0.829 . . . . 0.0 110.447 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -49.15 66.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 0.0 110.348 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.798 HD12 HD21 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -57.93 -34.2 69.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.194 -0.941 . . . . 0.0 110.334 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -53.68 55.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.076 -1.015 . . . . 0.0 109.961 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.98 55.3 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.102 -1.599 . . . . 0.0 109.102 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.565 ' O ' HG23 ' B' ' 22' ' ' VAL . 40.1 t80 -67.73 -47.49 69.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.988 . . . . 0.0 109.449 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.403 ' OG1' HG13 ' C' ' 14' ' ' VAL . 93.2 m -50.5 -30.76 13.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.809 . . . . 0.0 110.094 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.02 -72.07 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.416 -0.803 . . . . 0.0 109.955 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 9.5 pt-20 -47.32 -35.3 7.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.861 . . . . 0.0 110.746 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 18' ' ' TYR . 41.7 t -56.58 -46.29 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.93 . . . . 0.0 109.846 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.697 HD11 ' O ' ' C' ' 18' ' ' VAL . 6.2 mt -78.68 -22.52 46.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 0.0 110.25 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' B' ' 21' ' ' GLU . 11.4 mmt180 -81.52 -67.21 0.8 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 0.0 110.211 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.415 ' HB3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -54.92 -29.59 56.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.125 -0.984 . . . . 0.0 109.982 179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 51.16 55.52 16.28 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 0.0 110.504 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' B' ' 25' ' ' GLN . 46.9 Cg_endo -73.62 151.25 46.63 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.631 1.332 . . . . 0.0 110.338 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.01 -46.63 1.06 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.666 1.35 . . . . 0.0 109.913 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' B' ' 29' ' ' ASP . 30.6 p-10 -111.94 119.13 37.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.403 -0.81 . . . . 0.0 109.842 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -33.28 64.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.264 -0.898 . . . . 0.0 110.598 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.461 ' O ' HG23 ' B' ' 35' ' ' VAL . 46.6 t -50.67 -65.93 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 0.0 110.112 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.4 ' HB2' ' OD2' ' B' ' 29' ' ' ASP . 8.0 t0 -53.78 -39.38 65.37 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.538 -0.726 . . . . 0.0 110.014 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.403 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 20.6 t80 -61.33 -55.34 32.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.237 -0.914 . . . . 0.0 109.599 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.503 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -52.71 -34.19 51.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.803 . . . . 0.0 110.169 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.553 HG13 ' OG1' ' A' ' 39' ' ' THR . 97.8 t -73.17 -39.95 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.213 -0.929 . . . . 0.0 110.393 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -70.16 -37.89 75.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.198 -0.939 . . . . 0.0 110.54 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -70.37 -66.85 0.55 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.214 -0.929 . . . . 0.0 110.492 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -49.09 -47.58 45.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.87 . . . . 0.0 110.708 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.648 ' OG1' HG13 ' A' ' 35' ' ' VAL . 27.1 m -56.31 -38.88 71.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -31.24 51.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.938 . . . . 0.0 110.251 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.03 83.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 0.0 110.237 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -20.91 63.84 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.204 -0.935 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 110.401 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.221 0.534 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.756 HG23 HD13 ' A' ' 23' ' ' LEU . 35.0 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.0 109.887 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.88 -23.06 6.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 110.166 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.32 -55.12 3.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.713 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.89 81.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.265 -0.897 . . . . 0.0 109.698 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.628 ' O ' HG22 ' C' ' 10' ' ' ILE . . . -68.17 -43.46 78.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -0.921 . . . . 0.0 109.269 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 27.2 t -53.53 -29.2 35.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.818 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.18 73.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.204 -0.935 . . . . 0.0 110.254 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.628 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.6 OUTLIER -52.95 -34.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.116 -0.99 . . . . 0.0 109.765 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.615 ' CG1' HG23 ' A' ' 12' ' ' THR . 93.9 t -69.47 -38.55 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.772 . . . . 0.0 109.736 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.3 -39.59 93.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.564 -0.71 . . . . 0.0 110.733 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.25 -23.1 38.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.943 . . . . 0.0 110.737 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 15' ' ' LEU . 69.6 t -89.77 -25.31 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.023 -1.048 . . . . 0.0 109.622 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.599 HG22 ' O ' ' C' ' 11' ' ' VAL . 5.0 tt -85.28 -20.42 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.42 -0.8 . . . . 0.0 109.913 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -70.51 -23.66 62.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -101.92 -43.43 5.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.275 -0.891 . . . . 0.0 110.892 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.697 ' O ' HD11 ' B' ' 23' ' ' LEU . 5.8 p . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.095 -1.003 . . . . 0.0 110.558 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.618 HG23 HG12 ' C' ' 18' ' ' VAL . 4.2 mp . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.45 112.06 3.37 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.378 1.199 . . . . 0.0 110.688 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -75.38 171.92 17.32 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.566 1.298 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.57 -2.85 85.01 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.904 -1.141 . . . . 0.0 110.305 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.67 -20.11 57.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.361 . . . . 0.0 110.414 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.587 HG23 HG11 ' C' ' 11' ' ' VAL . 27.3 m -73.46 -62.51 1.46 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 0.0 110.251 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.72 -22.76 9.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 0.0 110.384 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.95 -57.46 3.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.142 -0.974 . . . . 0.0 110.19 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.94 -55.51 34.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 0.0 110.008 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.473 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.0 OUTLIER -51.28 -44.26 61.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.877 . . . . 0.0 109.962 179.647 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -57.38 -48.05 83.44 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.5 t80 -58.73 -27.02 64.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.48 -1.012 . . . . 0.0 110.232 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.578 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -69.7 -39.28 76.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 110.163 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.51 -26.63 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.071 -1.018 . . . . 0.0 110.511 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -77.92 -54.32 6.44 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.135 -0.978 . . . . 0.0 108.702 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.884 HG11 HD21 ' A' ' 30' ' ' LEU . 81.8 t -50.08 -33.11 9.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 121.338 0.59 . . . . 0.0 109.947 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' B' ' 7' ' ' ILE . 3.0 mm? -81.56 -36.49 29.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 0.0 109.814 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -68.54 0.42 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.389 -0.819 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -56.82 -30.48 63.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 110.64 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.59 59.36 15.4 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 110.076 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.93 164.62 35.05 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.592 1.311 . . . . 0.0 110.723 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.24 -20.74 32.19 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.777 1.409 . . . . 0.0 110.257 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -162.24 145.93 11.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.381 -0.824 . . . . 0.0 110.105 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.884 HD21 HG11 ' A' ' 22' ' ' VAL . 6.3 mp -85.89 -22.15 27.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.226 -0.921 . . . . 0.0 109.95 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.608 HG12 ' HG2' ' B' ' 42' ' ' ARG . 22.0 t -56.38 -58.47 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 0.0 109.719 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.27 -45.16 73.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.537 -0.727 . . . . 0.0 109.999 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.44 -49.13 79.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.0 109.627 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 30' ' ' LEU . . . -56.68 -40.98 76.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 0.0 109.856 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 31' ' ' VAL . 69.9 t -71.41 -28.38 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.338 -0.851 . . . . 0.0 109.819 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -28.37 22.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.296 -0.877 . . . . 0.0 109.382 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 41.3 t80 -80.41 -52.69 7.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.275 -0.891 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -66.12 -43.49 87.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 0.0 110.648 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.519 ' OG1' HG13 ' B' ' 35' ' ' VAL . 24.0 m -57.81 -44.51 86.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.114 -0.991 . . . . 0.0 109.78 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -63.67 -26.58 68.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 0.0 109.86 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -38.68 81.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 0.0 109.826 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -23.28 66.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 0.0 110.173 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 110.574 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.499 ' HA ' HD11 ' A' ' 23' ' ' LEU . 4.1 mp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.66 133.56 20.6 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.621 1.327 . . . . 0.0 110.375 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.19 -178.14 3.07 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 123.559 1.294 . . . . 0.0 110.506 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.89 1.04 90.6 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 30' ' ' LEU . 2.1 tp -87.94 -41.8 12.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.864 -1.374 . . . . 0.0 110.325 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 m -62.13 -54.8 36.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 0.0 110.407 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.39 -53.42 56.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -52.14 64.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 0.0 110.498 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.461 HD11 ' HG ' ' B' ' 11' ' ' LEU . 96.0 mt -61.22 -44.39 97.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.247 -0.908 . . . . 0.0 110.455 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.09 -45.94 61.64 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.12 -0.987 . . . . 0.0 110.416 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.38 -45.27 84.05 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.407 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 5.8 t80 -65.14 -38.22 89.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -1.15 . . . . 0.0 110.145 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.0 m -50.96 -57.31 8.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.081 -1.012 . . . . 0.0 109.24 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.95 -47.11 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 18' ' ' TYR . 0.1 OUTLIER -49.0 -65.72 0.52 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.495 0.664 . . . . 0.0 110.874 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.06 -40.36 45.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.449 -0.782 . . . . 0.0 110.332 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.617 HD13 ' HA ' ' C' ' 18' ' ' VAL . 14.6 tp -72.04 -11.08 60.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.143 -0.973 . . . . 0.0 110.682 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 -58.54 1.91 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 0.0 110.323 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.28 -37.03 74.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.358 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.37 56.14 15.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 0.0 110.013 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.449 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 45.2 Cg_endo -71.14 162.15 43.54 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.65 1.342 . . . . 0.0 110.822 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.85 -37.24 5.25 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.757 1.399 . . . . 0.0 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -120.45 120.94 37.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.294 -0.879 . . . . 0.0 110.165 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.95 -33.4 57.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.259 -0.9 . . . . 0.0 109.97 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.577 ' O ' HG23 ' B' ' 35' ' ' VAL . 33.9 t -54.64 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.68 -35.06 68.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.403 -0.811 . . . . 0.0 109.861 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.449 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 29.7 t80 -66.79 -50.83 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 0.0 109.632 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 -29.96 58.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.894 . . . . 0.0 109.774 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 31' ' ' VAL . 97.7 t -73.18 -54.71 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.327 -0.858 . . . . 0.0 110.14 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.65 -36.53 56.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.192 -0.943 . . . . 0.0 110.511 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -67.37 -74.73 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 0.0 110.718 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -53.05 -42.62 65.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 110.765 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.423 ' OG1' HG13 ' A' ' 35' ' ' VAL . 45.1 m -52.58 -52.67 54.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.963 -1.086 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -30.26 69.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.51 -20.48 64.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.608 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -78.39 -22.83 47.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.134 -0.979 . . . . 0.0 110.295 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 0.0 110.424 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.113 0.483 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 mt -80.15 -51.12 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.1 -1.0 . . . . 0.0 110.47 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.96 -20.33 15.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.169 -0.957 . . . . 0.0 110.121 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.36 -42.75 12.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 0.0 109.568 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.2 -27.95 61.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.792 . . . . 0.0 109.994 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.578 ' HB1' ' HB ' ' A' ' 19' ' ' THR . . . -80.33 -21.45 42.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 109.953 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.9 p -80.12 -34.17 38.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.134 -0.979 . . . . 0.0 109.873 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -47.93 29.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 0.0 110.207 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.502 HG23 ' N ' ' C' ' 11' ' ' VAL . 0.7 OUTLIER -53.72 -42.55 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 109.421 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.587 HG11 HG23 ' A' ' 12' ' ' THR . 53.0 t -64.86 -27.08 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.07 -34.07 76.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -41.05 62.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 0.0 110.595 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.607 ' O ' HG23 ' C' ' 18' ' ' VAL . 35.0 t -66.68 -45.48 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.046 -1.034 . . . . 0.0 109.728 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.461 HG22 ' O ' ' C' ' 11' ' ' VAL . 8.7 tp -66.64 -19.8 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.025 . . . . 0.0 110.19 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.02 -31.31 44.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -44.46 12.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.89 . . . . 0.0 110.264 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 7' ' ' ILE . 62.1 t . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.307 -0.871 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.626 HG23 HG12 ' C' ' 18' ' ' VAL . 4.5 mp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 116.04 4.53 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.463 1.243 . . . . 0.0 110.269 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.54 176.72 8.36 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.516 1.272 . . . . 0.0 110.682 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.15 1.46 81.78 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD11 HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -80.59 -6.62 58.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.861 -1.376 . . . . 0.0 110.631 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 m -74.69 -65.52 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.022 -1.049 . . . . 0.0 110.44 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -40.13 57.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.323 -0.861 . . . . 0.0 110.526 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 14' ' ' LEU . 89.2 mt -59.52 -61.66 2.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 0.0 110.409 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.891 ' CD1' HD22 ' B' ' 15' ' ' LEU . 2.8 mm? -59.04 -67.38 0.38 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.217 -0.927 . . . . 0.0 110.588 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.522 ' OE1' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -49.08 -37.44 21.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.187 -0.946 . . . . 0.0 110.463 -179.755 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.89 57.31 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 7.5 t80 -73.7 -47.27 40.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.553 -0.969 . . . . 0.0 109.57 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.858 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.59 -29.2 36.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 0.0 109.802 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.522 HG23 ' OE1' ' A' ' 16' ' ' GLN . 78.7 t -76.21 -77.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.357 -0.839 . . . . 0.0 110.582 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 9.5 pt-20 -47.22 -43.18 21.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 0.0 111.159 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.585 HG11 HD11 ' A' ' 30' ' ' LEU . 95.3 t -57.94 -39.23 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 0.0 110.06 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' C' ' 3' ' ' ILE . 9.0 mt -84.27 -58.78 2.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.133 -0.979 . . . . 0.0 110.384 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.82 -57.86 10.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 0.0 110.313 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -90.61 59.73 4.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.938 . . . . 0.0 110.096 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -36.55 97.35 0.13 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.918 -0.489 . . . . 0.0 111.712 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -75.76 164.13 32.48 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.942 1.496 . . . . 0.0 110.404 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.64 -44.5 1.45 Allowed 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.599 1.315 . . . . 0.0 110.062 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.56 122.25 23.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.476 -0.765 . . . . 0.0 109.835 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.9 -43.83 91.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 0.0 109.893 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' H ' HG23 ' A' ' 31' ' ' VAL . 40.4 t -54.27 -59.61 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.322 -0.861 . . . . 0.0 109.566 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.68 -38.39 84.81 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.553 -0.717 . . . . 0.0 109.845 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.74 -39.44 94.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 109.641 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -61.68 -40.68 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.391 -0.818 . . . . 0.0 109.848 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG13 ' OG1' ' B' ' 39' ' ' THR . 87.5 t -74.98 -37.47 41.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.25 -26.2 61.02 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.292 -0.88 . . . . 0.0 109.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 34.1 t80 -78.69 -66.43 0.86 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 0.0 110.465 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' HB3' HG23 ' B' ' 35' ' ' VAL . 27.8 m-85 -54.94 -48.85 72.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 110.564 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HG13 ' B' ' 35' ' ' VAL . 52.1 m -52.43 -46.86 66.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.947 -1.096 . . . . 0.0 109.902 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -28.94 67.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 0.0 109.855 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.27 -41.45 84.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 0.0 109.83 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -44.68 54.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.117 -0.99 . . . . 0.0 110.141 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.334 -0.854 . . . . 0.0 110.454 179.822 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 mm . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.416 ' HD2' HD21 ' A' ' 23' ' ' LEU . 47.1 Cg_endo -72.71 119.2 5.95 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.424 1.223 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.06 164.35 35.74 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.402 1.212 . . . . 0.0 110.385 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.59 76.08 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -87.71 -38.71 15.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.186 -1.184 . . . . 0.0 110.055 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -71.35 -36.77 71.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 0.0 109.955 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.34 -50.94 71.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.33 -0.856 . . . . 0.0 109.982 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.46 -43.23 71.5 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 0.0 109.964 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.891 HD22 ' CD1' ' A' ' 15' ' ' LEU . 37.3 mt -71.69 -40.32 69.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 110.027 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -45.02 73.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.0 109.734 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -57.15 -51.73 55.7 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.705 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.8 t80 -55.15 -31.58 61.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -1.154 . . . . 0.0 110.084 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.0 m -68.43 -43.93 76.04 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.859 . . . . 0.0 110.43 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.26 -19.89 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.218 -0.927 . . . . 0.0 110.562 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.455 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.4 mt-10 -89.98 -48.92 6.9 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.145 -0.972 . . . . 0.0 108.992 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 18' ' ' TYR . 97.5 t -52.59 -25.31 7.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.711 -0.618 . . . . 0.0 110.023 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -90.15 -36.9 14.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.294 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -57.5 3.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 0.0 110.386 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -62.73 -39.93 95.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 0.0 110.557 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 54.27 54.62 11.4 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.284 -0.885 . . . . 0.0 109.997 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 47.6 Cg_endo -71.36 156.32 58.84 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.731 1.385 . . . . 0.0 110.62 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.15 -37.89 5.52 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.712 1.375 . . . . 0.0 110.22 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.71 130.9 55.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 0.0 110.011 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.423 HD13 HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -86.79 -39.12 16.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.317 -0.865 . . . . 0.0 110.324 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -49.5 -67.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 0.0 110.25 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -55.23 -42.4 73.35 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.419 -0.801 . . . . 0.0 109.7 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -57.53 -51.97 67.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.874 . . . . 0.0 109.684 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -48.92 -34.96 13.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.396 -0.815 . . . . 0.0 110.503 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.569 HG13 ' OG1' ' A' ' 39' ' ' THR . 88.5 t -70.96 -51.41 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.128 -0.982 . . . . 0.0 109.965 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.28 -30.32 59.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.347 -0.846 . . . . 0.0 110.166 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.455 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 29.8 t80 -74.75 -73.48 0.24 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 0.0 110.378 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 35' ' ' VAL . 15.2 m-85 -49.48 -42.36 43.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.213 -0.929 . . . . 0.0 110.536 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' HG13 ' A' ' 35' ' ' VAL . 53.4 m -53.67 -43.55 68.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.205 -0.935 . . . . 0.0 109.962 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -27.76 69.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 0.0 110.099 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -25.33 63.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 110.072 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -18.73 62.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' B' ' 43' ' ' GLU . 4.4 tp10 . . . . . 0 C--N 1.306 -1.302 0 O-C-N 121.215 -0.928 . . . . 0.0 109.715 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.329 0.585 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.514 HG23 ' CD1' ' A' ' 23' ' ' LEU . 8.6 mt -59.8 -49.35 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.377 -0.827 . . . . 0.0 110.278 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -57.57 -19.51 26.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.315 -0.865 . . . . 0.0 110.396 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.52 -50.88 5.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 0.0 109.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.98 77.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 0.0 109.783 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.858 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -72.49 -22.99 60.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.173 -0.954 . . . . 0.0 109.444 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -67.91 -45.71 73.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.314 -0.866 . . . . 0.0 109.642 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -62.13 -36.21 81.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' C' ' 10' ' ' ILE . 12.6 mm -53.73 -42.86 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 0.0 109.275 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.456 HG21 ' HG3' ' A' ' 16' ' ' GLN . 98.3 t -66.14 -45.39 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 0.0 110.017 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -61.54 -29.09 69.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.313 -0.867 . . . . 0.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.68 -26.37 34.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.0 110.452 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.569 ' O ' HG23 ' C' ' 18' ' ' VAL . 69.9 t -87.57 -26.53 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.145 -0.972 . . . . 0.0 109.723 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.47 -23.96 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 0.0 109.704 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.64 -33.31 75.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.221 -0.925 . . . . 0.0 110.212 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -40.75 15.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 0.0 110.107 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.626 HG12 HG23 ' A' ' 7' ' ' ILE . 58.6 t . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.835 . . . . 0.0 110.58 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.704 ' N ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.47 113.77 3.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.772 1.407 . . . . 0.0 110.367 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.92 -172.97 1.39 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.496 1.261 . . . . 0.0 110.186 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.1 13.35 60.6 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.634 HD22 HD11 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -89.61 -29.69 18.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.259 . . . . 0.0 109.968 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.635 HG23 HG11 ' C' ' 11' ' ' VAL . 94.1 m -62.16 -60.32 3.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.27 -25.77 49.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.273 -0.892 . . . . 0.0 110.023 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' B' ' 30' ' ' LEU . 1.1 tp -78.9 -51.06 10.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 0.0 110.188 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 11' ' ' LEU . 82.0 mt -68.05 -55.3 13.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.402 ' HG2' ' HB1' ' C' ' 7' ' ' ALA . 1.0 OUTLIER -49.71 -45.25 48.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.1 -1.0 . . . . 0.0 110.197 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -54.0 -42.35 70.62 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HH ' ' HD2' ' A' ' 33' ' ' PHE . 5.3 t80 -61.76 -32.8 73.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.381 -1.07 . . . . 0.0 109.923 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.628 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -66.3 -31.33 72.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.312 -0.868 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.563 ' HA ' HG21 ' C' ' 3' ' ' ILE . 60.7 t -79.63 -21.66 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 0.0 110.504 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -91.46 -48.95 6.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.113 -0.992 . . . . 0.0 109.157 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.668 HG13 HD21 ' A' ' 30' ' ' LEU . 92.9 t -57.42 -32.27 40.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.624 -0.672 . . . . 0.0 110.417 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' C' ' 3' ' ' ILE . 4.0 mt -86.14 -33.96 20.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -78.52 -71.8 0.41 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.246 -0.909 . . . . 0.0 110.325 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.58 -34.19 24.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.329 -0.857 . . . . 0.0 110.475 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 52.39 56.35 15.2 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.87 . . . . 0.0 110.206 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.31 151.76 66.13 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.633 1.333 . . . . 0.0 110.423 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.03 -30.57 16.24 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.685 1.361 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.9 p30 -115.38 130.87 57.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.356 -0.84 . . . . 0.0 110.205 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.668 HD21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -90.42 -49.37 6.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.222 -0.923 . . . . 0.0 110.108 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.5 -62.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.265 -0.897 . . . . 0.0 109.894 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -54.55 -34.61 62.12 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.606 -0.684 . . . . 0.0 109.865 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' HD2' ' HH ' ' A' ' 18' ' ' TYR . 56.1 t80 -65.78 -46.82 77.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.918 . . . . 0.0 109.66 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.09 -33.76 58.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.348 -0.845 . . . . 0.0 109.999 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG13 ' OG1' ' B' ' 39' ' ' THR . 93.1 t -72.07 -54.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.313 -0.867 . . . . 0.0 110.159 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.01 -36.86 63.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 0.0 110.539 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 5.9 t80 -65.93 -76.96 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.262 -0.899 . . . . 0.0 110.459 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.408 ' HB3' HG23 ' B' ' 35' ' ' VAL . 34.1 m-85 -48.76 -47.9 41.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 0.0 110.908 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.479 ' OG1' HG13 ' B' ' 35' ' ' VAL . 67.4 m -50.43 -32.45 17.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.171 -0.956 . . . . 0.0 110.666 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.67 21.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 0.0 109.974 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -56.09 -21.99 25.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.338 -0.851 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -27.4 60.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.179 -0.95 . . . . 0.0 109.871 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 110.523 179.836 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -72.23 136.44 26.75 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.534 1.281 . . . . 0.0 110.532 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.99 160.76 39.81 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.64 1.337 . . . . 0.0 110.493 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.1 -21.21 41.29 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.486 HD13 HG11 ' A' ' 22' ' ' VAL . 3.6 tp -71.6 -50.4 31.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.221 -1.164 . . . . 0.0 110.433 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.8 m -54.6 -63.03 1.28 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 0.0 110.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.38 -52.99 40.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.23 -35.95 65.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.521 HD11 HD22 ' A' ' 15' ' ' LEU . 1.6 mm? -74.74 -51.66 13.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -39.48 58.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.124 -0.985 . . . . 0.0 110.169 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.55 66.48 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.416 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 8.1 t80 -62.07 -39.72 93.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.308 -1.113 . . . . 0.0 110.111 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.598 ' OG1' HG22 ' C' ' 14' ' ' VAL . 54.1 m -50.61 -61.33 2.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.044 -1.035 . . . . 0.0 109.316 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.11 -41.05 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 0.1 OUTLIER -53.45 -63.97 0.97 Allowed 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.316 0.579 . . . . 0.0 111.088 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 11' ' ' LEU . 87.2 t -47.62 -33.58 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.513 -0.742 . . . . 0.0 110.676 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.745 HD21 HG22 ' C' ' 18' ' ' VAL . 4.5 mm? -84.89 -20.11 31.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.102 -0.999 . . . . 0.0 110.067 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -72.8 -61.38 1.83 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 0.0 109.776 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.0 -26.05 34.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.266 -0.896 . . . . 0.0 109.907 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 51.54 55.36 15.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 110.355 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.425 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 46.8 Cg_endo -71.79 149.21 53.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.684 1.36 . . . . 0.0 110.415 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.57 -40.16 5.97 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.648 1.341 . . . . 0.0 110.218 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -107.65 115.62 30.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 109.952 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.476 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -80.37 -34.27 36.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.195 -0.941 . . . . 0.0 110.35 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -50.11 -65.67 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.214 -0.929 . . . . 0.0 110.239 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -41.39 84.1 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.448 -0.782 . . . . 0.0 109.926 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.425 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 46.8 t80 -60.93 -44.55 97.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 0.0 109.95 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -59.63 -42.79 93.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 0.0 109.954 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.479 HG13 ' OG1' ' A' ' 39' ' ' THR . 91.5 t -69.13 -44.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.329 -0.857 . . . . 0.0 109.987 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.19 -34.27 70.17 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.777 . . . . 0.0 110.022 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 18.1 t80 -75.89 -69.05 0.52 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.106 -0.996 . . . . 0.0 110.713 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 28.0 m-85 -51.31 -45.63 62.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.261 -0.899 . . . . 0.0 110.919 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.425 ' OG1' HG13 ' A' ' 35' ' ' VAL . 35.2 m -51.41 -51.76 52.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.08 -1.012 . . . . 0.0 110.277 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -71.44 -22.19 61.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' B' ' 41' ' ' LEU . 1.5 mt -72.73 -19.79 61.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.302 -0.874 . . . . 0.0 110.435 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -27.19 26.57 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.193 -0.942 . . . . 0.0 110.021 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 0.0 110.213 179.925 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.21 0.529 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.563 HG21 ' HA ' ' A' ' 20' ' ' VAL . 12.6 mt -63.17 -51.63 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 0.0 110.037 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -21.16 48.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.148 -0.97 . . . . 0.0 109.95 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -88.23 -52.49 5.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 0.0 109.63 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.17 71.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.418 -0.801 . . . . 0.0 109.869 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.628 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -78.53 -27.79 46.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 0.0 109.649 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -76.4 -37.06 57.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.32 -0.862 . . . . 0.0 109.868 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -80.99 -46.35 15.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 0.0 110.119 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.512 HG23 ' N ' ' C' ' 11' ' ' VAL . 1.2 tt -52.28 -41.82 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 0.0 109.58 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.635 HG11 HG23 ' A' ' 12' ' ' THR . 70.5 t -63.97 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.468 -0.77 . . . . 0.0 109.311 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.29 -42.4 30.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.387 -0.821 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.97 85.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.94 . . . . 0.0 110.252 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.598 HG22 ' OG1' ' B' ' 19' ' ' THR . 25.6 t -66.48 -28.66 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 0.0 109.932 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.407 HG12 ' O ' ' C' ' 11' ' ' VAL . 29.4 mm -70.88 -24.92 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.123 -0.986 . . . . 0.0 109.785 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -27.59 61.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.0 110.325 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.52 -41.64 23.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.745 HG22 HD21 ' B' ' 23' ' ' LEU . 60.9 t . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 0.0 110.551 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 7' ' ' ILE . 2.4 pp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.99 114.65 3.97 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.606 1.319 . . . . 0.0 110.539 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.25 164.39 35.78 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.474 1.25 . . . . 0.0 110.581 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.01 -24.69 10.56 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.751 -1.339 . . . . 0.0 109.751 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.435 ' HG ' ' CD1' ' A' ' 15' ' ' LEU . 10.4 tp -54.15 -26.37 27.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.218 -1.166 . . . . 0.0 110.4 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.468 HG23 HG11 ' C' ' 11' ' ' VAL . 21.1 m -60.76 -59.76 4.88 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.226 -0.921 . . . . 0.0 110.288 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.44 -30.8 61.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 0.0 110.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.27 -58.57 3.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.166 -0.959 . . . . 0.0 110.528 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 68.9 mt -61.94 -57.38 11.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 0.0 110.639 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.15 -37.42 46.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.088 -1.008 . . . . 0.0 110.239 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.15 96.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.665 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 t80 -72.33 -35.72 68.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.348 -1.089 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.705 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.72 -54.84 32.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.066 -1.022 . . . . 0.0 108.988 179.362 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.36 -46.95 94.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -50.56 -56.26 12.48 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.362 0.601 . . . . 0.0 111.074 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 18' ' ' TYR . 21.3 t -62.4 -24.51 35.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.301 -0.874 . . . . 0.0 110.508 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.774 HD13 HG12 ' C' ' 3' ' ' ILE . 0.2 OUTLIER -89.43 -26.61 20.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.128 -0.982 . . . . 0.0 110.147 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -75.48 -55.8 5.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.292 -0.88 . . . . 0.0 110.128 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.72 -30.42 36.27 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.272 -0.893 . . . . 0.0 109.73 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.85 57.61 14.74 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 110.235 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.6 151.43 58.45 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.525 1.276 . . . . 0.0 110.48 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.79 -36.72 7.63 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.671 1.353 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -111.08 122.71 48.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 0.0 110.189 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -89.24 -33.27 17.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 0.0 110.166 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.3 t -52.54 -61.17 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.25 -0.906 . . . . 0.0 109.92 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.05 -45.73 90.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.541 -0.724 . . . . 0.0 109.978 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 19.2 t80 -57.4 -54.21 49.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 109.612 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -49.22 -35.01 16.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.583 HG13 ' OG1' ' B' ' 39' ' ' THR . 93.7 t -70.79 -53.45 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.288 -0.882 . . . . 0.0 110.119 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -49.71 -46.6 50.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 0.0 110.662 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.462 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 18.2 t80 -55.17 -72.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 0.0 110.201 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 27.5 m-85 -54.46 -41.97 70.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.492 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.471 ' OG1' HG13 ' B' ' 35' ' ' VAL . 26.7 m -53.17 -49.77 65.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.962 . . . . 0.0 109.943 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -31.02 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.848 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -54.73 -36.73 65.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 0.0 110.041 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -44.57 84.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.407 -0.808 . . . . 0.0 110.277 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 0.0 110.293 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.751 HG13 HD11 ' A' ' 23' ' ' LEU . 3.7 mp . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.49 138.14 31.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.451 1.237 . . . . 0.0 110.545 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.06 157.65 50.58 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.634 1.334 . . . . 0.0 110.43 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.36 -25.9 4.47 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -76.79 -8.58 57.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.281 -1.129 . . . . 0.0 110.541 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.0 m -80.65 -60.15 2.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 0.0 110.583 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.67 -49.72 64.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.363 -0.835 . . . . 0.0 110.769 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.69 -56.97 14.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.24 -0.912 . . . . 0.0 110.704 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 15' ' ' LEU . 2.2 mm? -58.45 -46.17 87.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -0.989 . . . . 0.0 110.603 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -50.08 -44.97 52.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.012 -1.055 . . . . 0.0 110.308 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.65 80.33 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.706 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 14.9 t80 -55.82 -34.38 65.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.336 -1.097 . . . . 0.0 109.75 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -64.84 -42.27 95.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.412 -0.805 . . . . 0.0 110.233 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.37 -21.98 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 0.0 110.388 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.2 mt-10 -89.92 -51.45 5.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.266 -0.896 . . . . 0.0 108.827 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' B' ' 30' ' ' LEU . 41.6 t -48.36 -31.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.756 -0.59 . . . . 0.0 110.121 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.82 HD11 ' HA ' ' C' ' 18' ' ' VAL . 25.5 mt -89.37 -31.56 17.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.264 -0.897 . . . . 0.0 109.964 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.22 -63.02 1.46 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.294 -0.879 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -53.8 -34.83 60.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -0.931 . . . . 0.0 110.122 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.0 OUTLIER 51.93 51.17 9.45 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.452 -0.78 . . . . 0.0 110.403 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.49 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 45.9 Cg_endo -70.82 156.09 61.23 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.596 1.314 . . . . 0.0 110.382 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.26 -50.59 0.4 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.702 1.37 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -110.76 114.49 27.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 0.0 109.982 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' B' ' 22' ' ' VAL . 0.5 OUTLIER -67.48 -32.21 72.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.92 . . . . 0.0 110.263 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.08 -62.93 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.239 -0.913 . . . . 0.0 109.963 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.71 -42.65 89.18 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.565 -0.71 . . . . 0.0 110.045 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.49 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 23.2 t80 -58.69 -52.36 66.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.907 . . . . 0.0 109.733 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.706 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -51.18 -38.83 54.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.471 HG13 ' OG1' ' A' ' 39' ' ' THR . 95.5 t -70.93 -42.03 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.141 -0.975 . . . . 0.0 110.361 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.3 -29.77 70.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.897 . . . . 0.0 110.776 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.463 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 37.4 t80 -72.28 -60.75 2.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.121 -0.987 . . . . 0.0 110.608 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -62.94 -47.73 81.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.135 -0.978 . . . . 0.0 110.58 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.583 ' OG1' HG13 ' A' ' 35' ' ' VAL . 71.9 m -51.91 -45.94 64.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.104 -0.998 . . . . 0.0 110.201 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -68.85 -29.71 68.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -0.941 . . . . 0.0 109.866 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tp -55.66 -39.41 70.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.851 . . . . 0.0 110.218 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -48.64 47.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.302 -0.874 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 109.882 179.734 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.047 0.451 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.774 HG12 HD13 ' A' ' 23' ' ' LEU . 3.0 mt -47.92 -38.73 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.235 -0.916 . . . . 0.0 110.505 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.94 -19.91 66.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.176 -0.952 . . . . 0.0 110.208 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -97.08 -42.74 7.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 109.706 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -32.76 72.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.249 -0.907 . . . . 0.0 109.651 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.705 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -79.52 -21.01 45.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.258 -0.901 . . . . 0.0 109.675 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -32.02 45.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 0.0 109.574 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -49.54 14.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.197 -0.939 . . . . 0.0 109.955 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.527 HG23 ' N ' ' C' ' 11' ' ' VAL . 0.9 OUTLIER -51.78 -41.5 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.056 -1.027 . . . . 0.0 109.496 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 11' ' ' VAL . . . . . 0.527 ' N ' HG23 ' C' ' 10' ' ' ILE . 76.6 t -66.54 -36.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.435 -0.791 . . . . 0.0 109.093 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -55.92 -40.96 73.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 0.0 109.878 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.26 91.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 0.0 110.057 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 t -64.59 -31.56 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 0.0 109.438 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 81.4 mt -74.27 -27.94 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.214 -0.928 . . . . 0.0 109.777 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -85.17 -21.94 28.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 0.0 110.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -92.0 -36.74 13.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 0.0 110.557 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.82 ' HA ' HD11 ' B' ' 23' ' ' LEU . 4.7 p . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.089 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.25 0.548 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.2 ttt -95.47 56.59 1.84 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.207 -0.933 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.07 51.62 0.05 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.606 -1.397 . . . . 0.0 109.606 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -148.04 63.81 1.11 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -1.163 . . . . 0.0 110.267 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 tp -122.56 136.95 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.28 -0.887 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.751 ' O ' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -170.12 53.04 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.156 -0.965 . . . . 0.0 110.39 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.751 HG23 ' O ' ' A' ' 6' ' ' GLN . 1.0 OUTLIER -162.4 66.72 1.88 Allowed Pre-proline 0 N--CA 1.498 1.96 0 O-C-N 121.37 -0.831 . . . . 0.0 110.437 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.96 128.82 15.42 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.511 1.269 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 -166.93 0.3 Allowed 'Trans proline' 0 C--N 1.314 -1.277 0 O-C-N 123.525 1.277 . . . . 0.0 110.421 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.73 -34.14 5.64 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.19 -17.68 64.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.196 -1.179 . . . . 0.0 110.427 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.486 HG23 ' CG1' ' C' ' 11' ' ' VAL . 89.9 m -72.03 -66.3 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.198 -0.939 . . . . 0.0 110.636 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -54.39 -31.67 55.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.28 -0.887 . . . . 0.0 110.459 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tp -69.12 -55.54 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 0.0 110.438 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD22 HG11 ' C' ' 14' ' ' VAL . 0.9 OUTLIER -58.76 -48.28 81.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.16 -0.962 . . . . 0.0 110.487 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.711 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.0 OUTLIER -51.78 -44.02 63.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.167 -0.958 . . . . 0.0 110.249 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.0 -49.0 64.24 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.63 ' O ' HG23 ' A' ' 22' ' ' VAL . 11.0 t80 -53.92 -35.21 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -1.067 . . . . 0.0 109.677 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.618 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -66.52 -31.32 71.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.361 -0.837 . . . . 0.0 110.251 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.7 -23.91 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 110.848 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 1.6 mt-10 -81.23 -51.82 7.99 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.028 -1.045 . . . . 0.0 109.002 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 18' ' ' TYR . 29.4 t -59.37 -34.69 55.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 121.211 0.529 . . . . 0.0 110.397 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 19' ' ' THR . 4.2 mm? -79.55 -29.58 41.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.959 . . . . 0.0 110.397 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -55.09 6.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.202 -0.936 . . . . 0.0 110.32 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -33.88 41.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -0.913 . . . . 0.0 110.482 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.37 63.55 8.08 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.271 -0.893 . . . . 0.0 110.112 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.56 160.26 50.08 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.65 1.342 . . . . 0.0 110.597 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.61 -42.18 2.7 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.798 1.42 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.77 116.94 27.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.159 -0.963 . . . . 0.0 110.348 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.62 -33.49 62.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.887 . . . . 0.0 109.991 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG12 ' HD2' ' B' ' 42' ' ' ARG . 43.9 t -50.44 -54.81 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.875 . . . . 0.0 109.896 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.34 -46.97 74.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.627 -0.671 . . . . 0.0 110.071 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -56.78 -36.07 69.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 0.0 109.802 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -60.17 -49.0 79.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 0.0 110.042 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG13 ' OG1' ' B' ' 39' ' ' THR . 92.5 t -64.59 -28.21 44.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.282 -0.886 . . . . 0.0 110.039 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -70.48 -49.36 49.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.703 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.01 -70.14 0.2 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -0.813 . . . . 0.0 111.293 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -48.03 -53.04 17.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.244 -0.91 . . . . 0.0 111.351 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.513 ' OG1' HG13 ' B' ' 35' ' ' VAL . 22.3 m -48.9 -41.67 34.34 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.275 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -71.37 -28.14 63.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.0 109.573 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -31.87 66.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 0.0 109.909 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -18.1 60.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.291 -0.881 . . . . 0.0 110.528 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -107.53 14.22 26.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.12 -0.987 . . . . 0.0 110.636 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.89 -28.52 39.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.085 -1.009 . . . . 0.0 110.183 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.96 -65.04 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.255 -0.903 . . . . 0.0 110.085 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.141 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.251 0.548 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 6.6 tpt 53.51 97.25 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.205 -0.934 . . . . 0.0 110.17 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' B' ' 4' ' ' HIS . . . -112.4 156.65 15.46 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' B' ' 3' ' ' GLY . 1.9 m-70 -173.05 -176.44 1.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -1.124 . . . . 0.0 110.052 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.595 HD12 ' N ' ' B' ' 5' ' ' ILE . 5.3 mp -117.06 139.15 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.2 -0.938 . . . . 0.0 110.171 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -135.62 -178.7 5.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.331 -0.856 . . . . 0.0 110.224 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm -121.0 140.38 30.82 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.218 -0.926 . . . . 0.0 110.142 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.13 135.51 23.01 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.664 1.349 . . . . 0.0 110.425 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.82 166.19 28.68 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.561 1.295 . . . . 0.0 110.292 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -37.05 3.85 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.15 -51.46 69.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -1.131 . . . . 0.0 110.167 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -61.73 -47.2 86.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.328 -0.858 . . . . 0.0 110.176 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.33 -35.31 71.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 110.163 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.61 -59.2 3.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.291 -0.881 . . . . 0.0 110.259 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.07 -35.93 65.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.22 -51.94 60.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 109.786 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.32 -41.55 98.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.552 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 32.7 t80 -64.85 -48.55 73.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -1.058 . . . . 0.0 109.652 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -51.35 -38.06 51.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.255 -0.903 . . . . 0.0 110.138 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.59 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.286 -0.884 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 9.9 pt-20 -43.81 -39.32 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.672 -0.643 . . . . 0.0 111.221 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 18' ' ' TYR . 48.2 t -52.76 -43.37 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.938 -1.102 . . . . 0.0 109.773 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' B' ' 23' ' ' LEU . 4.1 mm? -77.41 -46.82 21.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 0.0 110.345 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -50.54 70.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.109 -0.995 . . . . 0.0 110.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -34.92 60.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.18 55.68 16.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.377 -0.827 . . . . 0.0 110.288 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.16 161.75 44.84 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.728 1.383 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.13 -50.92 0.3 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.709 1.373 . . . . 0.0 110.222 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.61 122.14 44.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.895 . . . . 0.0 110.124 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.57 -27.14 58.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 0.0 110.216 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.06 -68.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 0.0 110.312 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' B' ' 36' ' ' GLU . 3.0 t0 -53.58 -42.29 67.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.781 . . . . 0.0 109.835 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -57.42 -53.32 59.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 0.0 109.787 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.552 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -50.88 -39.59 54.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.331 -0.856 . . . . 0.0 110.26 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.513 HG13 ' OG1' ' A' ' 39' ' ' THR . 64.0 t -71.19 -33.16 49.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.253 -0.904 . . . . 0.0 110.116 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 2.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.267 -0.896 . . . . 0.0 110.549 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -77.15 -67.32 0.72 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.132 -0.98 . . . . 0.0 110.465 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.46 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 14.5 m-85 -53.75 -45.52 70.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -0.928 . . . . 0.0 110.527 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' HG13 ' A' ' 35' ' ' VAL . 51.5 m -57.08 -36.98 71.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.13 -0.981 . . . . 0.0 110.15 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttt85 -73.74 -30.16 62.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.931 . . . . 0.0 110.084 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -41.48 81.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 0.0 109.845 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.53 ' HD2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.03 -34.33 29.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 0.0 110.22 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.3 -25.25 66.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 0.0 109.98 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.37 -42.55 62.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.306 -0.871 . . . . 0.0 110.125 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 78.42 3.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.285 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.24 0.543 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -73.03 -29.45 63.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.108 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.84 -39.72 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.867 . . . . 0.0 110.094 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.88 -16.86 53.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 110.287 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -94.88 -43.23 8.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 0.0 109.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.84 61.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.357 -0.839 . . . . 0.0 109.877 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.573 ' O ' HG23 ' C' ' 11' ' ' VAL . . . -80.06 -20.39 45.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.246 -0.909 . . . . 0.0 109.683 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -78.53 -34.26 47.31 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.132 -0.98 . . . . 0.0 109.632 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -79.6 -39.99 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.286 -0.884 . . . . 0.0 110.113 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.423 HD13 ' O ' ' C' ' 10' ' ' ILE . 0.3 OUTLIER -55.43 -41.7 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.967 . . . . 0.0 109.181 179.588 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.711 HG21 ' HG3' ' A' ' 16' ' ' GLN . 89.5 t -64.07 -40.79 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.545 -0.722 . . . . 0.0 109.784 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -29.41 33.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.477 -0.764 . . . . 0.0 110.761 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -46.21 25.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.069 -1.02 . . . . 0.0 110.441 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.553 HG11 HD22 ' A' ' 15' ' ' LEU . 55.6 t -63.46 -45.51 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 110.152 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.531 HG22 ' O ' ' C' ' 11' ' ' VAL . 0.9 OUTLIER -66.62 -27.0 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.167 -0.958 . . . . 0.0 110.344 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.81 -22.07 63.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 110.411 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -101.36 -50.46 3.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -0.902 . . . . 0.0 110.807 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 7' ' ' ILE . 40.5 t -56.4 -33.9 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.162 -0.961 . . . . 0.0 110.725 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -89.25 -25.21 21.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.993 -1.067 . . . . 0.0 110.308 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.38 3.53 51.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.311 -0.868 . . . . 0.0 110.576 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.29 -32.16 26.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.004 -1.06 . . . . 0.0 110.179 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.32 55.65 1.08 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.5 -56.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.255 -1.144 . . . . 0.0 110.282 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.301 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.251 0.548 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 3' ' ' GLY . 8.3 ptp -130.03 -38.54 1.43 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.87 . . . . 0.0 110.197 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.442 ' N ' ' HG3' ' A' ' 2' ' ' MET . . . -87.75 121.17 5.79 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.71 96.65 5.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.24 -1.153 . . . . 0.0 110.218 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 mt -146.85 135.47 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.637 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -141.85 38.56 1.64 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.637 HD12 ' H ' ' A' ' 6' ' ' GLN . 4.4 mp -120.55 104.52 42.53 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.226 -0.921 . . . . 0.0 109.939 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -71.38 112.67 3.4 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.589 1.31 . . . . 0.0 110.772 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.79 174.82 11.21 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.611 1.322 . . . . 0.0 110.332 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.94 -7.93 80.96 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 11' ' ' LEU . 15.5 tp -66.18 -13.0 59.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.862 -1.375 . . . . 0.0 110.731 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 m -79.85 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 0.0 110.511 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -31.0 11.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 0.0 110.618 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -53.9 9.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 0.0 110.351 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.442 HD23 HG21 ' C' ' 14' ' ' VAL . 4.4 mp -66.41 -60.97 2.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 0.0 110.439 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -50.67 -36.67 36.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.171 -0.956 . . . . 0.0 110.335 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -55.84 -42.88 86.95 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.777 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.4 t80 -62.66 -39.15 92.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.471 -1.017 . . . . 0.0 109.762 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.542 HG21 HD12 ' C' ' 10' ' ' ILE . 0.2 OUTLIER -61.64 -33.5 74.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.422 -0.799 . . . . 0.0 110.212 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.027 HG22 HD12 ' C' ' 3' ' ' ILE . 42.9 t -76.25 -22.69 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.837 . . . . 0.0 110.794 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -93.13 -45.72 7.76 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.053 -1.03 . . . . 0.0 109.1 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 18' ' ' TYR . 49.3 t -56.44 -32.28 35.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.679 -0.638 . . . . 0.0 110.347 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.901 HD21 HG13 ' B' ' 7' ' ' ILE . 0.2 OUTLIER -90.31 -33.54 16.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 0.0 110.362 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.79 -57.08 3.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.94 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -30.47 71.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.254 -0.904 . . . . 0.0 110.399 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 52.27 59.64 14.23 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.258 -0.901 . . . . 0.0 110.367 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.66 151.82 64.18 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.594 1.312 . . . . 0.0 110.578 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.87 -36.8 5.7 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.685 1.36 . . . . 0.0 110.22 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.14 115.54 21.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.846 . . . . 0.0 110.103 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.705 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -70.95 -49.34 46.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 0.0 110.148 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -48.59 -60.9 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.303 -0.873 . . . . 0.0 110.084 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.47 -40.22 86.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.596 -0.69 . . . . 0.0 109.705 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -61.13 -48.53 81.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 109.469 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.11 -44.4 83.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG13 ' OG1' ' B' ' 39' ' ' THR . 74.3 t -69.74 -28.32 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.297 -0.877 . . . . 0.0 109.656 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -31.55 34.49 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.294 -0.879 . . . . 0.0 109.518 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -78.02 -64.47 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 0.0 110.082 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.425 ' HB3' HG23 ' B' ' 35' ' ' VAL . 9.2 m-85 -50.36 -43.25 54.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.323 -0.861 . . . . 0.0 110.651 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.567 ' OG1' HG13 ' B' ' 35' ' ' VAL . 19.9 m -58.61 -42.42 88.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.063 -1.023 . . . . 0.0 109.853 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -30.78 71.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 0.0 109.98 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.85 64.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.329 -0.857 . . . . 0.0 110.05 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.59 72.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.302 -0.874 . . . . 0.0 110.058 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -77.52 -32.25 53.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.304 -0.872 . . . . 0.0 110.149 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.34 -28.82 61.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.988 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 52.93 77.44 0.16 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.248 -0.908 . . . . 0.0 110.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.128 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.224 0.535 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -154.58 95.95 1.84 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.22 -0.925 . . . . 0.0 110.376 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.35 127.51 8.53 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' B' ' 4' ' ' HIS . 38.2 t-80 -144.64 32.53 1.16 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -1.19 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.461 ' O ' HG23 ' B' ' 5' ' ' ILE . 0.6 OUTLIER -124.62 130.88 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.216 -0.928 . . . . 0.0 110.412 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -169.92 172.8 6.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 0.0 110.231 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.901 HG13 HD21 ' A' ' 23' ' ' LEU . 4.1 mp -75.9 141.66 71.91 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 0.0 109.98 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.458 ' HD2' HG23 ' B' ' 7' ' ' ILE . 45.0 Cg_endo -72.16 135.12 24.37 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.701 1.369 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -74.89 -2.22 12.22 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.6 1.316 . . . . 0.0 111.523 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.35 -12.44 83.09 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' B' ' 11' ' ' LEU . 36.1 tp -80.27 -35.93 35.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.007 -1.29 . . . . 0.0 110.265 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -54.48 -66.48 0.39 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -27.44 22.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.395 -0.816 . . . . 0.0 110.353 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -61.01 1.96 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -0.946 . . . . 0.0 110.221 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.95 -53.63 53.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.336 -0.853 . . . . 0.0 110.497 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -43.53 34.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.186 -0.946 . . . . 0.0 110.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . -55.67 -51.62 53.72 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.14 -41.57 65.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -1.119 . . . . 0.0 110.097 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -55.06 -35.56 64.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.842 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -72.94 -25.01 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 0.0 110.383 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 17' ' ' GLY . 7.4 mm-40 -87.7 -52.66 5.19 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.2 -0.938 . . . . 0.0 109.109 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.554 HG13 HD11 ' B' ' 30' ' ' LEU . 79.8 t -47.18 -35.78 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.808 -0.557 . . . . 0.0 110.399 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.828 HD21 HG13 ' C' ' 18' ' ' VAL . 69.8 mt -90.13 -23.52 21.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -87.3 -22.39 25.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.267 -0.895 . . . . 0.0 110.633 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.44 -32.95 10.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 0.0 110.702 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.469 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.2 mm100 53.7 51.57 8.65 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.128 -0.982 . . . . 0.0 110.075 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 45.5 Cg_endo -70.77 155.04 63.37 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.672 1.354 . . . . 0.0 110.621 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -71.55 -35.05 8.52 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.712 1.375 . . . . 0.0 110.144 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -123.62 121.01 34.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.841 . . . . 0.0 109.949 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.554 HD11 HG13 ' B' ' 22' ' ' VAL . 0.3 OUTLIER -74.48 -44.16 52.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 0.0 110.566 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -49.41 -58.64 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.227 -0.921 . . . . 0.0 110.107 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.71 -38.53 81.9 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.59 -0.693 . . . . 0.0 109.776 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -62.28 -49.74 74.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 109.44 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.6 79.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.342 -0.849 . . . . 0.0 109.723 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.567 HG13 ' OG1' ' A' ' 39' ' ' THR . 71.7 t -68.8 -31.49 50.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.276 -0.89 . . . . 0.0 109.656 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.59 -30.14 36.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.44 -0.787 . . . . 0.0 109.349 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -78.8 -61.57 1.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 0.0 110.397 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -54.11 -50.34 67.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 0.0 110.332 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.614 ' OG1' HG13 ' A' ' 35' ' ' VAL . 22.5 m -50.63 -45.66 57.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.209 -0.932 . . . . 0.0 110.029 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -24.18 66.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.13 -0.981 . . . . 0.0 109.987 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.09 -24.12 62.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.293 -0.879 . . . . 0.0 110.415 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -83.59 -24.19 31.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.217 -0.927 . . . . 0.0 110.199 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -91.6 -23.35 19.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.264 -0.897 . . . . 0.0 110.31 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.37 -58.8 2.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.161 -0.962 . . . . 0.0 110.192 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -91.72 64.81 4.93 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 110.338 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.204 179.924 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ASP . . . . . 0.596 ' C ' HD23 ' C' ' 2' ' ' LEU . 82.8 m-20 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.275 0.56 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.701 HD12 HG23 ' C' ' 3' ' ' ILE . 0.1 OUTLIER -155.73 -88.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.262 -0.899 . . . . 0.0 110.331 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 1.027 HD12 HG22 ' A' ' 20' ' ' VAL . 40.4 pt -50.32 -29.78 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.878 -1.139 . . . . 0.0 110.474 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' GLU . . . . . 0.435 ' N ' HG13 ' C' ' 3' ' ' ILE . 16.9 tp10 -49.63 -30.4 8.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.349 -0.845 . . . . 0.0 110.935 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.24 -49.15 3.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 0.0 110.312 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.31 65.61 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.253 -0.905 . . . . 0.0 110.416 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' C' ' 10' ' ' ILE . . . -75.78 -29.55 58.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.034 -1.041 . . . . 0.0 109.339 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' C' ' 4' ' ' GLU . 2.8 t -65.97 -37.96 87.33 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.538 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.06 -36.27 81.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 0.0 109.454 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' C' ' 7' ' ' ALA . 56.1 mt -54.23 -38.17 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 0.0 109.204 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.587 ' O ' HG22 ' C' ' 15' ' ' ILE . 91.9 t -66.79 -45.99 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 110.112 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -35.11 69.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 0.0 110.961 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.84 43.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.108 -0.995 . . . . 0.0 110.745 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.442 HG21 HD23 ' A' ' 15' ' ' LEU . 55.2 t -81.03 -39.22 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.007 . . . . 0.0 109.517 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.587 HG22 ' O ' ' C' ' 11' ' ' VAL . 1.3 tt -72.19 -20.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 0.0 109.721 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' C' ' 20' ' ' ALA . 10.1 mt-10 -87.91 -29.16 21.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.283 -0.885 . . . . 0.0 110.127 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -88.17 -44.04 11.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.326 -0.858 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.828 HG13 HD21 ' B' ' 23' ' ' LEU . 61.0 t -67.86 -45.37 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.889 . . . . 0.0 110.215 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -70.77 -32.92 70.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 110.495 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' C' ' 16' ' ' GLU . . . -82.36 -20.72 36.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.241 -0.912 . . . . 0.0 110.341 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.64 -77.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.171 -0.956 . . . . 0.0 110.107 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.14 52.17 41.87 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.79 -76.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.153 -1.204 . . . . 0.0 110.242 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.131 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.28 0.562 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 68.0 mtt -73.01 -23.47 60.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.894 . . . . 0.0 110.219 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.13 177.29 50.67 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.74 -164.9 0.96 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -1.141 . . . . 0.0 110.27 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 5' ' ' ILE . 5.3 mp -112.89 137.11 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.25 -0.906 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.22 -157.67 0.62 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.277 -0.889 . . . . 0.0 110.262 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.934 HG21 ' O ' ' C' ' 18' ' ' VAL . 2.2 pp -61.35 142.38 93.76 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 0.0 110.301 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.69 129.67 13.84 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.624 1.328 . . . . 0.0 110.383 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.37 159.18 47.2 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 123.465 1.245 . . . . 0.0 110.393 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 117.86 -15.93 12.35 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -30.74 70.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.042 -1.269 . . . . 0.0 110.616 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.3 m -73.12 -35.86 66.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.207 -0.933 . . . . 0.0 110.721 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -80.84 -23.36 39.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.216 -0.928 . . . . 0.0 110.643 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 10' ' ' GLY . 2.2 mt -82.83 -42.15 18.2 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.14 -0.975 . . . . 0.0 110.779 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD23 HG21 ' C' ' 14' ' ' VAL . 5.5 mp -68.68 -51.22 44.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.201 -0.937 . . . . 0.0 110.938 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.1 mp0 -62.26 -39.69 93.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.072 -1.017 . . . . 0.0 109.616 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.49 -28.71 56.25 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.223 -1.951 . . . . 0.0 108.223 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.733 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 6.6 t80 -82.28 -47.76 12.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.769 -0.842 . . . . 0.0 109.485 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -26.84 40.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.327 -0.858 . . . . 0.0 109.458 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 16' ' ' GLN . 78.8 t -77.81 -76.28 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.529 -0.732 . . . . 0.0 110.808 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 9.6 pt-20 -47.34 -44.83 24.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.285 -0.884 . . . . 0.0 111.17 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.495 HG22 ' CE2' ' A' ' 33' ' ' PHE . 89.2 t -54.57 -51.02 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.918 -1.113 . . . . 0.0 109.755 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD12 HG23 ' C' ' 3' ' ' ILE . 14.0 mt -68.21 -12.53 61.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 0.0 110.402 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -70.04 0.74 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 0.0 110.469 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -27.75 15.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.14 -0.975 . . . . 0.0 110.185 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.16 59.27 16.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.926 . . . . 0.0 110.382 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.75 147.07 49.81 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.703 1.37 . . . . 0.0 110.402 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.3 -21.97 34.86 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 O-C-N 123.698 1.367 . . . . 0.0 110.621 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.58 114.53 18.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.145 -0.972 . . . . 0.0 110.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.59 HD13 ' C ' ' A' ' 30' ' ' LEU . 2.4 tm? -75.35 -51.07 14.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -0.82 . . . . 0.0 109.492 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 31' ' ' VAL . 43.1 t -52.17 -49.4 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 0.0 109.576 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -66.82 -36.31 82.08 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.758 -0.589 . . . . 0.0 109.965 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CE2' HG22 ' A' ' 22' ' ' VAL . 91.3 t80 -65.95 -34.69 78.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 0.0 109.725 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.733 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -68.26 -37.15 80.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 0.0 109.945 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG13 ' OG1' ' B' ' 39' ' ' THR . 78.3 t -70.09 -27.43 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.27 -0.894 . . . . 0.0 110.047 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.52 -34.24 27.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.223 -0.923 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 87.5 t80 -75.27 -60.47 2.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.132 -0.98 . . . . 0.0 110.17 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.617 ' HE1' HD22 ' A' ' 14' ' ' LEU . 6.6 m-85 -55.13 -43.81 74.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 110.271 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HG13 ' B' ' 35' ' ' VAL . 23.6 m -61.64 -36.96 82.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.078 -1.014 . . . . 0.0 109.722 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -28.27 68.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.266 -0.896 . . . . 0.0 109.602 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.49 -34.33 67.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 109.969 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -56.47 -27.31 56.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 0.0 109.731 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.15 -49.11 5.9 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 109.928 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.27 32.36 8.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.389 -0.819 . . . . 0.0 110.236 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 74.63 1.19 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.367 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.251 0.548 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 49.8 mtt -75.66 -167.92 0.77 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 0.0 109.919 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.32 123.46 2.63 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.492 ' O ' HD13 ' B' ' 5' ' ' ILE . 20.5 m170 -105.76 129.99 53.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.288 -1.125 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.492 HD13 ' O ' ' B' ' 4' ' ' HIS . 48.9 mm -129.21 74.09 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.868 . . . . 0.0 110.169 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -100.05 38.01 1.55 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.927 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' B' ' 8' ' ' PRO . 7.4 mt -141.8 143.73 30.0 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.357 -0.839 . . . . 0.0 110.369 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' B' ' 7' ' ' ILE . 46.5 Cg_endo -72.72 137.19 26.88 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.65 1.342 . . . . 0.0 110.58 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.61 164.29 34.1 Favored 'Trans proline' 0 C--N 1.312 -1.391 0 O-C-N 123.567 1.298 . . . . 0.0 110.157 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.48 -37.8 3.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -56.25 -49.29 74.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.268 -1.136 . . . . 0.0 110.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.8 m -60.05 -47.24 86.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.105 -0.997 . . . . 0.0 110.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.73 -30.42 68.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' B' ' 14' ' ' LEU . 25.8 tp -69.89 -41.57 74.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.161 -0.962 . . . . 0.0 110.332 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.31 -45.69 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 110.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.683 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -55.73 -36.92 67.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.194 -0.941 . . . . 0.0 109.752 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.49 -48.35 74.43 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 108.996 -1.641 . . . . 0.0 108.996 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.64 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.3 t80 -59.78 -53.46 57.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -1.107 . . . . 0.0 109.83 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.53 HG23 ' CG2' ' C' ' 18' ' ' VAL . 85.0 m -51.14 -36.51 41.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.319 -0.863 . . . . 0.0 110.366 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.683 HG23 ' O ' ' B' ' 16' ' ' GLN . 49.1 t -65.87 -74.93 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.226 -0.921 . . . . 0.0 110.313 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.412 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 7.4 pt-20 -45.4 -38.9 6.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.385 -0.822 . . . . 0.0 110.977 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 18' ' ' TYR . 43.7 t -54.34 -46.42 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 0.0 110.083 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.737 HD21 HG13 ' C' ' 18' ' ' VAL . 2.9 mm? -67.63 -27.04 66.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.089 -1.007 . . . . 0.0 110.256 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.18 -66.88 0.83 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.892 . . . . 0.0 110.194 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.401 ' O ' ' HD3' ' B' ' 27' ' ' PRO . 0.5 OUTLIER -84.91 55.78 3.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.892 . . . . 0.0 110.387 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -36.13 96.31 0.1 Allowed Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 122.037 -0.414 . . . . 0.0 111.782 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' B' ' 25' ' ' GLN . 49.9 Cg_endo -79.75 169.55 18.04 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.897 1.472 . . . . 0.0 110.384 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.38 -35.68 7.96 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.69 1.363 . . . . 0.0 110.02 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -154.69 118.3 4.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -0.839 . . . . 0.0 110.006 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.642 ' H ' HD12 ' B' ' 30' ' ' LEU . 3.6 mp -53.84 -27.6 30.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.881 . . . . 0.0 110.049 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.447 ' O ' HG23 ' B' ' 35' ' ' VAL . 39.3 t -52.68 -50.7 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.487 -0.758 . . . . 0.0 109.72 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.3 -50.11 29.47 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.579 -0.701 . . . . 0.0 109.917 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -54.88 -53.04 60.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 0.0 109.508 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.34 -39.13 21.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.515 -0.741 . . . . 0.0 110.42 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.569 HG13 ' OG1' ' A' ' 39' ' ' THR . 84.5 t -77.4 -32.36 18.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.144 -0.973 . . . . 0.0 109.96 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -25.73 40.09 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 0.0 109.623 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.412 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 65.5 t80 -80.26 -64.2 1.24 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 0.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.402 ' HB3' HG23 ' A' ' 35' ' ' VAL . 20.6 m-85 -54.77 -44.98 74.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.178 -0.951 . . . . 0.0 110.589 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.449 ' OG1' HG13 ' A' ' 35' ' ' VAL . 34.0 m -56.27 -46.49 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.031 -1.043 . . . . 0.0 110.141 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -25.32 65.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.175 -0.953 . . . . 0.0 110.132 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.71 -31.73 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.21 -0.931 . . . . 0.0 110.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -54.37 -27.37 35.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.917 . . . . 0.0 109.95 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.72 -64.09 1.2 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 0.0 110.01 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 49.43 35.71 8.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.363 -0.836 . . . . 0.0 110.627 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.2 79.63 0.12 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.132 -0.98 . . . . 0.0 110.249 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.124 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.189 0.518 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.46 ' HA ' HD22 ' C' ' 2' ' ' LEU . 0.1 OUTLIER -104.94 -24.71 12.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.15 -0.969 . . . . 0.0 110.441 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.467 HG23 HD12 ' A' ' 23' ' ' LEU . 55.7 mt -70.91 -56.5 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.05 -1.031 . . . . 0.0 109.949 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.61 -16.89 28.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 110.167 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -86.31 -49.27 7.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.202 -0.937 . . . . 0.0 109.551 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ALA . . . . . 0.409 ' CB ' HD11 ' B' ' 7' ' ' ILE . . . -65.56 -34.13 77.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.244 -0.91 . . . . 0.0 109.419 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.439 ' O ' ' HB ' ' C' ' 10' ' ' ILE . . . -77.8 -21.74 51.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.298 -0.876 . . . . 0.0 109.267 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -40.16 76.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.107 -0.996 . . . . 0.0 108.9 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -36.8 80.04 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.38 -0.825 . . . . 0.0 109.24 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' C' ' 10' ' ' ILE . 5.5 mm -54.19 -44.67 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.364 -0.835 . . . . 0.0 108.886 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.443 HG23 ' CD ' ' A' ' 16' ' ' GLN . 75.3 t -53.63 -45.04 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.311 -0.868 . . . . 0.0 109.765 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.71 -36.07 81.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 0.0 110.773 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.52 -18.33 41.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 0.0 111.007 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.432 HG21 HD23 ' A' ' 15' ' ' LEU . 75.2 t -91.65 -24.42 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.952 -1.092 . . . . 0.0 109.769 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' C' ' 19' ' ' LYS . 52.8 mt -85.3 -24.12 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.292 -0.88 . . . . 0.0 109.43 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' C' ' 20' ' ' ALA . 8.5 mm-40 -72.46 -20.37 61.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 0.0 110.409 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.94 -31.43 6.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 0.0 110.804 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.934 ' O ' HG21 ' A' ' 7' ' ' ILE . 42.0 t -93.1 -13.44 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.067 -1.021 . . . . 0.0 110.761 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' C' ' 15' ' ' ILE . 0.0 OUTLIER -111.39 -37.29 5.3 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.946 -1.096 . . . . 0.0 110.425 -179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' C' ' 16' ' ' GLU . . . -74.52 -19.28 60.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -0.876 . . . . 0.0 110.471 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.69 -28.72 67.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.145 -0.972 . . . . 0.0 110.252 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.81 -90.07 1.27 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.31 46.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -1.134 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.215 -179.88 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.21 0.528 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -63.19 -26.43 68.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.307 -0.87 . . . . 0.0 110.196 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.57 -133.13 8.23 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -146.06 30.22 1.06 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -1.173 . . . . 0.0 110.206 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -111.72 147.7 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.176 -0.952 . . . . 0.0 110.264 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.5 98.58 0.8 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.119 -0.988 . . . . 0.0 110.667 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.1 mp -107.34 106.12 57.56 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.353 -0.842 . . . . 0.0 109.573 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.24 112.78 3.41 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.583 1.307 . . . . 0.0 110.811 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -80.28 178.06 7.53 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.535 1.281 . . . . 0.0 110.137 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 116.48 9.39 11.51 Favored Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.867 -1.158 . . . . 0.0 110.372 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.78 0.86 57.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.942 -1.329 . . . . 0.0 110.685 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.966 HG23 HG11 ' C' ' 11' ' ' VAL . 87.1 m -80.38 -68.6 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.008 -1.057 . . . . 0.0 110.555 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -26.52 10.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -0.83 . . . . 0.0 110.449 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 10' ' ' GLY . 32.7 mt -75.68 -37.08 59.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.873 . . . . 0.0 110.354 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.794 HD21 HD11 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -81.83 -55.91 4.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 0.0 110.513 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -47.26 55.84 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 0.0 110.094 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -56.56 -50.55 62.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.436 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 12.5 t80 -53.03 -43.95 66.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.476 -1.014 . . . . 0.0 109.806 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.64 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -58.59 -33.27 69.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 0.0 110.282 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.39 -27.0 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 110.878 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.8 mt-10 -77.32 -52.68 8.77 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.904 -1.123 . . . . 0.0 109.002 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 18' ' ' TYR . 40.0 t -58.5 -34.38 50.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.764 -0.585 . . . . 0.0 110.265 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 19' ' ' THR . 2.3 mm? -73.04 -36.12 66.87 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 110.522 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.37 -50.17 8.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.17 -0.956 . . . . 0.0 110.349 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -41.04 72.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 0.0 110.346 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 52.31 63.86 8.35 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.361 -0.837 . . . . 0.0 110.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.45 159.69 50.72 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.749 1.394 . . . . 0.0 110.613 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.97 -23.92 24.73 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.704 1.371 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -141.22 114.95 9.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.925 . . . . 0.0 110.141 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.18 -31.53 71.14 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -0.908 . . . . 0.0 110.155 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.97 -60.85 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.136 -0.978 . . . . 0.0 109.865 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.53 -43.57 93.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.649 -0.657 . . . . 0.0 109.964 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 109.928 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.48 -41.32 80.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 109.555 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG13 ' OG1' ' B' ' 39' ' ' THR . 76.1 t -75.88 -36.63 32.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.384 -0.822 . . . . 0.0 109.819 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.11 64.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.23 -0.919 . . . . 0.0 109.657 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -73.15 -64.26 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 0.0 109.959 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.97 -51.72 55.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.236 -0.915 . . . . 0.0 110.293 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.434 ' OG1' HG13 ' B' ' 35' ' ' VAL . 57.1 m -54.59 -36.58 64.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.168 -0.957 . . . . 0.0 109.783 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -70.76 -33.37 70.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.0 109.691 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -23.97 67.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.361 -0.837 . . . . 0.0 109.957 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -66.54 -38.55 87.4 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.408 -0.808 . . . . 0.0 109.715 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.01 -24.43 58.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.837 . . . . 0.0 110.049 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.03 64.48 0.72 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.915 . . . . 0.0 110.25 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 146.42 54.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.211 -0.93 . . . . 0.0 110.021 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.215 -179.829 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.285 0.564 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.9 ttt -109.52 74.3 0.89 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.0 110.335 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.67 129.36 1.34 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -128.04 176.09 7.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -1.166 . . . . 0.0 110.206 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.551 HD12 ' N ' ' B' ' 5' ' ' ILE . 4.5 mp -106.63 94.02 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.913 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -102.51 57.77 0.79 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.256 -0.903 . . . . 0.0 109.958 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm -118.63 132.09 24.0 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.28 -0.887 . . . . 0.0 110.202 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.11 115.44 4.32 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.525 1.276 . . . . 0.0 110.397 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.06 179.15 6.03 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 O-C-N 123.454 1.239 . . . . 0.0 110.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.98 -27.32 16.92 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.08 68.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -1.147 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.6 m -71.56 -33.17 68.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 0.0 110.212 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.74 -63.39 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.949 . . . . 0.0 110.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.25 -29.64 15.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 110.379 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.794 HD11 HD21 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.89 -53.38 11.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.9 . . . . 0.0 110.44 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -49.14 50.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.038 -1.039 . . . . 0.0 110.263 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.1 -47.52 66.81 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.753 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.3 t80 -55.23 -53.48 55.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 0.0 109.69 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.449 ' OG1' HG13 ' C' ' 14' ' ' VAL . 87.9 m -47.73 -43.37 26.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.85 . . . . 0.0 110.53 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.57 -74.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.368 -0.833 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 10.7 pt-20 -45.53 -39.52 7.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.458 -0.776 . . . . 0.0 111.149 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.971 HG13 HD21 ' B' ' 30' ' ' LEU . 63.6 t -52.93 -37.79 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.924 -1.11 . . . . 0.0 109.809 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.815 HD11 ' HA ' ' C' ' 18' ' ' VAL . 5.1 mt -84.0 -50.76 7.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 0.0 110.155 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -65.18 0.71 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -54.48 -36.11 63.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.249 -0.907 . . . . 0.0 110.339 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.406 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.0 tt0 51.92 55.57 15.36 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.937 . . . . 0.0 110.168 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 43.9 Cg_endo -69.97 153.79 67.6 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.698 1.367 . . . . 0.0 110.624 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.8 -37.99 6.04 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.727 1.382 . . . . 0.0 110.413 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -116.58 117.02 28.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.282 -0.886 . . . . 0.0 110.296 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.971 HD21 HG13 ' B' ' 22' ' ' VAL . 0.2 OUTLIER -72.01 -41.44 67.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 0.0 109.66 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.26 -64.85 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 0.0 109.693 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -33.99 61.07 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.563 -0.711 . . . . 0.0 109.795 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.4 -45.99 85.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 0.0 109.515 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.731 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -51.74 -37.36 50.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.416 -0.802 . . . . 0.0 110.245 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.434 HG13 ' OG1' ' A' ' 39' ' ' THR . 99.1 t -70.95 -53.48 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.292 -0.88 . . . . 0.0 110.439 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.44 -49.78 54.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 0.0 110.909 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -59.79 -71.36 0.13 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.095 -1.003 . . . . 0.0 110.512 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.28 -48.21 46.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.298 -0.876 . . . . 0.0 110.827 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' HG13 ' A' ' 35' ' ' VAL . 55.3 m -51.57 -41.6 61.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.063 -1.023 . . . . 0.0 110.055 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.54 -33.43 75.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.179 -0.95 . . . . 0.0 109.897 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.15 -24.6 37.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 0.0 110.051 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -30.59 68.8 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.233 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -90.18 -52.56 4.88 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.399 -0.813 . . . . 0.0 109.48 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 49.29 79.11 0.08 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.462 -0.774 . . . . 0.0 110.527 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -25.89 33.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 0.0 110.224 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.174 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.263 0.554 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.15 -46.13 74.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 0.0 110.392 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 30.1 mt -62.69 -42.92 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.235 -0.916 . . . . 0.0 110.202 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.57 -13.19 58.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 110.336 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.88 -47.59 8.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -1.0 . . . . 0.0 109.986 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.06 -28.26 57.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 0.0 109.996 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.64 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -76.58 -35.96 57.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.118 -0.989 . . . . 0.0 109.77 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 20.6 p -69.25 -29.48 67.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 109.636 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -38.76 32.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.329 -0.857 . . . . 0.0 109.874 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.597 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER -54.98 -34.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 0.0 109.222 179.473 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.966 HG11 HG23 ' A' ' 12' ' ' THR . 94.9 t -72.32 -44.34 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 110.031 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.43 -28.6 20.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.419 -0.801 . . . . 0.0 110.965 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.87 -44.29 18.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.086 -1.009 . . . . 0.0 110.333 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.745 ' O ' HG23 ' C' ' 18' ' ' VAL . 59.4 t -67.11 -33.84 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.0 109.625 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.401 HG23 HD12 ' C' ' 15' ' ' ILE . 33.5 mm -70.09 -39.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.379 -0.826 . . . . 0.0 109.717 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.37 -25.76 65.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.274 -0.891 . . . . 0.0 110.103 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -78.93 -36.57 41.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.194 -0.941 . . . . 0.0 109.971 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.815 ' HA ' HD11 ' B' ' 23' ' ' LEU . 52.9 t -67.42 -11.03 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.931 . . . . 0.0 110.586 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 9.9 7.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.14 -0.975 . . . . 0.0 110.725 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.48 -13.74 58.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.041 -1.037 . . . . 0.0 110.557 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.88 -73.31 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.143 -0.973 . . . . 0.0 110.556 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.47 52.89 3.4 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.55 43.67 1.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -1.145 . . . . 0.0 110.222 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.275 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.204 0.526 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 tpt -174.44 -37.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.893 . . . . 0.0 110.463 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.93 117.19 0.58 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.5 28.51 8.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.28 -1.129 . . . . 0.0 110.279 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 5' ' ' ILE . 1.8 tt -119.7 52.44 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 110.205 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -123.27 -154.45 0.6 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 110.315 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.6 mp -85.58 123.9 72.04 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.961 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.53 122.81 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.465 1.245 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.25 176.59 9.4 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 123.495 1.26 . . . . 0.0 110.367 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.05 -30.97 5.85 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 11' ' ' LEU . 19.5 tp -61.97 -17.87 58.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.271 -1.135 . . . . 0.0 110.458 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.835 HG23 HG11 ' C' ' 11' ' ' VAL . 13.2 m -71.81 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.165 -0.959 . . . . 0.0 110.53 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -27.51 68.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.356 -0.84 . . . . 0.0 110.711 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.31 -55.61 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.106 -0.996 . . . . 0.0 110.485 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD22 HD22 ' B' ' 15' ' ' LEU . 54.5 mt -61.13 -43.18 99.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.2 -0.937 . . . . 0.0 110.49 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.558 ' HG3' HG21 ' C' ' 11' ' ' VAL . 1.1 tt0 -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.0 110.044 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.52 -48.78 68.33 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.056 -1.617 . . . . 0.0 109.056 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.727 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 10.0 t80 -55.85 -34.97 65.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -1.082 . . . . 0.0 109.659 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.561 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.35 -30.7 67.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.39 -0.818 . . . . 0.0 109.936 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 96.7 t -75.7 -20.26 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 0.0 110.433 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 1.0 OUTLIER -95.61 -58.65 2.06 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.171 -0.956 . . . . 0.0 109.349 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 30' ' ' LEU . 96.0 t -50.63 -29.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.626 -0.671 . . . . 0.0 110.36 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' HG23 ' C' ' 3' ' ' ILE . 87.3 mt -90.21 -38.73 13.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 0.0 110.334 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -76.69 -51.51 11.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 0.0 110.507 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -73.34 -28.42 62.05 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.183 -0.948 . . . . 0.0 110.066 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.5 58.23 16.28 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 0.0 110.166 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.17 149.31 64.12 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.695 1.366 . . . . 0.0 110.674 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.32 -23.35 24.17 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.778 1.409 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 5.4 p-10 -127.37 125.36 40.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -90.16 -51.01 5.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 0.0 110.216 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.4 t -48.86 -63.36 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.362 -0.837 . . . . 0.0 110.214 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -57.94 -34.5 69.95 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.456 -0.777 . . . . 0.0 109.975 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 51.6 t80 -68.32 -43.91 76.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 0.0 109.582 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.727 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.65 -30.92 65.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 0.0 109.732 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 31' ' ' VAL . 50.3 t -70.74 -50.68 42.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.316 -0.865 . . . . 0.0 109.975 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.9 -39.69 74.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -0.854 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -68.5 -68.07 0.42 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.239 -0.913 . . . . 0.0 110.666 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.11 -48.95 64.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 0.0 110.695 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.414 ' OG1' HG13 ' B' ' 35' ' ' VAL . 56.8 m -50.73 -38.73 49.11 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 110.328 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -36.93 56.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.943 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.66 61.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 0.0 109.688 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.657 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -59.77 -36.63 77.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.32 -0.863 . . . . 0.0 109.724 179.707 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.73 -50.15 7.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.444 -0.785 . . . . 0.0 110.057 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.41 48.3 22.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.369 -0.832 . . . . 0.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.06 157.51 43.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -0.889 . . . . 0.0 110.224 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.225 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.255 0.55 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.31 76.85 1.51 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.26 79.39 0.1 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.67 17.6 12.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.321 -1.106 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 50.5 mm -105.06 137.63 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.157 -0.964 . . . . 0.0 110.172 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.403 ' O ' ' CG ' ' B' ' 6' ' ' GLN . 1.0 OUTLIER -159.1 79.29 0.76 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.0 110.203 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.81 122.11 69.45 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.176 -0.953 . . . . 0.0 110.113 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.79 116.32 4.51 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.506 1.266 . . . . 0.0 110.259 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.01 -177.34 2.23 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 O-C-N 123.486 1.256 . . . . 0.0 110.605 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.78 -24.82 24.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.06 -44.78 68.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -1.137 . . . . 0.0 110.151 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -57.58 -41.44 81.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 0.0 110.527 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.41 -51.49 51.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.227 -0.921 . . . . 0.0 110.643 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.4 -42.19 81.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.898 . . . . 0.0 110.818 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 15' ' ' LEU . 57.6 mt -69.1 -37.57 78.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.067 -1.021 . . . . 0.0 110.639 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.417 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -56.21 -53.89 51.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.13 -0.981 . . . . 0.0 110.162 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.28 95.65 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.461 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 53.8 t80 -65.08 -50.64 65.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.324 -1.104 . . . . 0.0 109.98 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.524 ' OG1' HG13 ' C' ' 14' ' ' VAL . 45.4 m -51.68 -33.65 34.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 0.0 110.123 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 16' ' ' GLN . 42.1 t -65.77 -70.81 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 0.0 110.044 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' B' ' 37' ' ' TYR . 9.9 pt-20 -45.25 -38.3 5.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 0.0 111.002 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.433 ' N ' ' HG3' ' B' ' 21' ' ' GLU . 42.2 t -54.95 -43.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.048 -1.032 . . . . 0.0 109.624 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.76 HD11 ' HA ' ' C' ' 18' ' ' VAL . 7.3 mt -75.57 -40.29 56.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 0.0 110.066 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -43.06 96.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 110.233 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.06 60.94 0.66 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 0.0 110.264 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -38.05 96.13 0.11 Allowed Pre-proline 0 N--CA 1.502 2.151 0 O-C-N 121.948 -0.47 . . . . 0.0 111.436 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -87.74 157.88 7.58 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.978 1.515 . . . . 0.0 110.517 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.96 -39.78 3.94 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.599 1.315 . . . . 0.0 110.038 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.97 119.82 23.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.867 . . . . 0.0 109.91 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -26.28 59.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 110.352 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.657 HG12 ' HG2' ' A' ' 42' ' ' ARG . 41.3 t -52.17 -60.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.156 -0.965 . . . . 0.0 109.831 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.1 -45.21 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.631 -0.668 . . . . 0.0 110.254 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.51 -50.23 73.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.236 -0.915 . . . . 0.0 109.697 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.461 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -49.94 -36.21 26.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.342 -0.849 . . . . 0.0 110.354 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.414 HG13 ' OG1' ' A' ' 39' ' ' THR . 87.5 t -71.73 -45.73 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.187 -0.946 . . . . 0.0 110.169 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.66 -38.61 85.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 0.0 110.61 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.468 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 52.5 t80 -70.27 -69.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.186 -0.947 . . . . 0.0 110.416 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -49.1 -45.27 43.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.257 -0.902 . . . . 0.0 110.673 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.544 ' OG1' HG13 ' A' ' 35' ' ' VAL . 48.2 m -57.92 -41.79 83.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.88 44.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 110.197 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' B' ' 37' ' ' TYR . 5.0 tp -70.47 -21.69 62.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.51 47.93 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.166 -0.959 . . . . 0.0 109.954 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -106.51 7.23 30.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 0.0 110.632 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -111.27 -82.06 0.58 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.995 -1.066 . . . . 0.0 110.179 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -43.19 26.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.007 . . . . 0.0 110.094 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.068 -0.967 . . . . 0.0 110.303 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.325 0.583 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.46 11.45 36.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.563 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 23' ' ' LEU . 17.4 mt -72.19 -42.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.029 -1.045 . . . . 0.0 110.182 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.92 -20.53 16.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.933 . . . . 0.0 110.172 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -94.28 -47.33 6.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.732 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.71 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.314 -0.866 . . . . 0.0 109.839 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.634 ' O ' HG22 ' C' ' 10' ' ' ILE . . . -75.49 -31.56 60.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.966 . . . . 0.0 109.305 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 45.6 t -64.88 -28.45 69.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 0.0 109.945 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -78.6 -39.91 36.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.99 . . . . 0.0 110.281 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.634 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER -54.5 -33.44 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 109.501 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.835 HG11 HG23 ' A' ' 12' ' ' THR . 85.7 t -72.48 -43.62 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.56 -0.712 . . . . 0.0 109.982 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' C' ' 15' ' ' ILE . 45.0 t0 -52.74 -34.91 54.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 111.177 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.21 35.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 0.0 110.718 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.524 HG13 ' OG1' ' B' ' 19' ' ' THR . 75.4 t -75.37 -34.44 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 0.0 110.006 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.831 HG22 ' O ' ' C' ' 11' ' ' VAL . 2.6 tp -76.9 -21.08 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.0 110.14 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.26 -20.45 59.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 0.0 110.282 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -102.85 -20.52 14.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 0.0 110.611 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.76 ' HA ' HD11 ' B' ' 23' ' ' LEU . 5.1 p -79.21 -42.84 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 0.0 110.192 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.472 ' N ' ' CG1' ' C' ' 18' ' ' VAL . 0.1 OUTLIER -80.65 -32.45 36.14 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.392 -0.818 . . . . 0.0 110.31 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.28 63.55 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.288 -0.883 . . . . 0.0 110.402 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.98 -76.51 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.156 -0.965 . . . . 0.0 110.391 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.68 9.94 51.39 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . 51.01 47.22 25.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.964 -1.315 . . . . 0.0 110.478 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.175 0.512 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -129.79 -66.4 0.79 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 110.472 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.3 48.47 0.13 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.585 ' C ' HD12 ' A' ' 5' ' ' ILE . 21.7 m170 -116.68 91.95 3.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.375 -1.074 . . . . 0.0 110.068 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 5' ' ' ILE . 5.2 mp -130.77 85.08 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.136 -0.977 . . . . 0.0 110.669 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.699 ' C ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -114.56 21.69 14.29 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.306 -0.872 . . . . 0.0 110.084 179.381 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.699 HD12 ' C ' ' A' ' 6' ' ' GLN . 4.6 mp -146.04 90.35 5.81 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.569 -0.707 . . . . 0.0 109.589 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.28 111.75 2.99 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.601 1.316 . . . . 0.0 110.94 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.51 -163.02 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.296 0 O-C-N 123.689 1.363 . . . . 0.0 110.266 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.82 -39.91 2.98 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.84 ' HG ' HD13 ' A' ' 15' ' ' LEU . 12.7 tp -54.23 -25.98 26.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -1.206 . . . . 0.0 110.177 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.628 HG23 HG11 ' C' ' 11' ' ' VAL . 24.2 m -56.68 -62.74 1.52 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.217 -0.927 . . . . 0.0 110.192 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.17 -47.38 81.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.912 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD21 HG22 ' B' ' 31' ' ' VAL . 0.8 OUTLIER -55.25 -39.64 70.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 110.371 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.84 HD13 ' HG ' ' A' ' 11' ' ' LEU . 3.8 mp -73.95 -56.11 5.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 0.0 110.493 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.1 OUTLIER -52.74 -43.81 66.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 0.0 109.989 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.47 78.52 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.6 t80 -67.26 -49.18 65.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.555 -0.968 . . . . 0.0 109.783 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -51.85 -34.99 43.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 0.0 110.105 179.574 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -70.34 -74.48 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.387 -0.821 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -43.96 -44.14 7.01 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.546 -0.721 . . . . 0.0 111.52 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' TYR . 97.7 t -53.85 -46.04 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.936 -1.103 . . . . 0.0 110.194 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.675 HD11 ' HD2' ' B' ' 8' ' ' PRO . 0.1 OUTLIER -81.13 -17.48 49.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.242 -0.911 . . . . 0.0 110.459 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -88.7 -59.05 2.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 0.0 110.622 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.33 -28.17 61.92 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.19 -0.944 . . . . 0.0 110.146 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 51.65 68.87 2.86 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 0.0 110.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.41 164.7 34.84 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.699 1.368 . . . . 0.0 110.872 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.47 -39.4 5.19 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.804 1.423 . . . . 0.0 110.355 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -134.8 129.09 34.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 0.0 110.13 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.1 -40.3 65.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.153 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -50.65 -63.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 110.06 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.54 -35.16 73.67 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.497 -0.752 . . . . 0.0 110.134 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.18 -46.82 76.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.205 -0.934 . . . . 0.0 109.58 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.608 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.07 -37.68 61.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.804 . . . . 0.0 110.24 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.476 HG13 ' OG1' ' B' ' 39' ' ' THR . 86.8 t -69.38 -51.27 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 0.0 110.198 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.9 -44.65 82.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 110.733 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -62.86 -58.37 7.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.169 -0.957 . . . . 0.0 110.886 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -64.78 -43.88 91.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.184 -0.948 . . . . 0.0 110.973 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.518 ' OG1' HG13 ' B' ' 35' ' ' VAL . 79.7 m -56.37 -24.96 47.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.98 -1.075 . . . . 0.0 110.319 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.81 26.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 0.0 110.525 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -26.84 59.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.209 -0.932 . . . . 0.0 110.257 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' HB2' HG12 ' B' ' 31' ' ' VAL . 23.3 tpt180 -71.15 -25.42 62.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.189 -0.944 . . . . 0.0 109.434 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -92.35 -51.6 5.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 110.062 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.56 84.17 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.425 -0.797 . . . . 0.0 110.592 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.03 48.27 0.85 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.174 -0.954 . . . . 0.0 110.214 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.162 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 66.6 t60 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.23 0.538 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -45.88 0.15 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 0.0 110.131 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.95 -174.68 0.1 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.655 ' C ' HD12 ' B' ' 5' ' ' ILE . 4.9 m-70 -134.05 113.93 12.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -1.165 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.655 HD12 ' C ' ' B' ' 4' ' ' HIS . 5.0 mp -139.69 147.23 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 0.0 109.977 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.72 95.95 0.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.108 -0.995 . . . . 0.0 110.911 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.66 HG23 HD11 ' A' ' 23' ' ' LEU . 3.0 mp -87.71 144.55 35.36 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.675 ' HD2' HD11 ' A' ' 23' ' ' LEU . 43.2 Cg_endo -68.79 125.08 12.18 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.626 1.329 . . . . 0.0 110.565 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.78 169.98 21.1 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.494 1.26 . . . . 0.0 110.365 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.86 -24.41 26.49 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.02 -35.45 76.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -1.155 . . . . 0.0 110.195 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -71.74 -34.01 69.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -65.25 -61.07 2.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 110.051 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.3 -40.19 58.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 0.0 110.226 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 15' ' ' LEU . 0.7 OUTLIER -61.67 -49.06 78.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 110.191 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CA ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -49.42 -35.6 19.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.167 -0.958 . . . . 0.0 110.111 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.64 99.49 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.58 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.2 t80 -68.46 -54.33 17.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.42 -1.047 . . . . 0.0 109.971 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.674 ' OG1' HG13 ' C' ' 14' ' ' VAL . 38.0 m -47.97 -33.26 7.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.365 -0.834 . . . . 0.0 110.257 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.16 -72.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 0.0 109.726 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.59 -41.05 29.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.239 -0.913 . . . . 0.0 110.624 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 18' ' ' TYR . 64.0 t -56.29 -44.41 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 0.0 109.838 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.35 -30.07 33.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.359 -0.838 . . . . 0.0 110.16 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -61.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 0.0 110.167 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.12 -28.44 61.35 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.34 -0.85 . . . . 0.0 109.696 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 50.53 62.71 11.17 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.45 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.68 162.71 41.56 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.806 1.424 . . . . 0.0 110.61 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.88 -28.61 16.3 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.598 1.315 . . . . 0.0 110.681 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 33.0 p-10 -138.06 138.37 38.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 0.0 110.715 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.791 HD22 HD13 ' A' ' 11' ' ' LEU . 1.1 mt -89.99 -33.32 16.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.258 -0.902 . . . . 0.0 109.946 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.484 ' O ' HG23 ' B' ' 35' ' ' VAL . 35.6 t -52.6 -63.64 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.457 -0.777 . . . . 0.0 109.976 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.4 -42.66 99.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.402 -0.811 . . . . 0.0 109.931 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -59.35 -53.67 55.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.646 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -50.94 -40.69 57.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.394 -0.816 . . . . 0.0 110.354 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.518 HG13 ' OG1' ' A' ' 39' ' ' THR . 94.9 t -66.91 -47.4 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.936 . . . . 0.0 110.062 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.02 -31.17 72.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.146 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -74.39 -58.75 3.09 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.931 . . . . 0.0 110.023 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.39 -50.22 73.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 0.0 110.48 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' HG13 ' A' ' 35' ' ' VAL . 56.5 m -49.52 -44.95 46.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.163 -0.961 . . . . 0.0 110.507 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -64.61 -26.5 68.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.167 -0.958 . . . . 0.0 110.032 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -38.02 80.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.219 -0.925 . . . . 0.0 110.224 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -18.42 59.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -112.47 -46.48 3.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 0.0 110.392 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.29 34.84 12.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.268 -0.895 . . . . 0.0 110.422 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -61.95 -58.72 6.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.241 -0.912 . . . . 0.0 110.42 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.239 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' C' ' 3' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.258 0.551 . . . . 0.0 110.268 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt 53.92 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.0 110.234 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.642 HG12 HD22 ' A' ' 23' ' ' LEU . 4.1 mt -57.57 -39.65 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.82 -1.175 . . . . 0.0 109.787 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.54 -20.67 21.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.376 -0.828 . . . . 0.0 110.236 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -94.76 -46.77 6.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.0 110.044 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -30.35 68.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.206 -0.934 . . . . 0.0 109.946 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 19' ' ' THR . . . -75.84 -21.38 57.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 109.82 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -42.07 49.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 0.0 109.913 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -67.52 -39.44 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.93 . . . . 0.0 110.068 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.1 OUTLIER -56.11 -45.32 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 0.0 109.403 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.656 HG12 HD11 ' C' ' 15' ' ' ILE . 67.2 t -62.65 -28.43 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.157 -0.965 . . . . 0.0 109.973 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.97 -33.8 76.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 110.437 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.407 ' O ' ' NE2' ' C' ' 17' ' ' GLN . . . -71.68 -40.54 69.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 110.437 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.674 HG13 ' OG1' ' B' ' 19' ' ' THR . 38.9 t -67.44 -36.9 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.958 . . . . 0.0 109.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.656 HD11 HG12 ' C' ' 11' ' ' VAL . 51.9 mt -65.82 -29.47 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 0.0 109.907 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.02 -40.85 78.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.888 . . . . 0.0 110.192 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' C' ' 13' ' ' ALA . 0.0 OUTLIER -62.53 -49.06 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 0.0 110.227 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 7' ' ' ILE . 96.9 t -57.55 -30.3 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 0.0 110.219 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -100.77 14.5 31.45 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.881 . . . . 0.0 110.582 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.64 -15.81 21.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.073 -1.017 . . . . 0.0 110.49 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.15 71.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.169 -0.957 . . . . 0.0 110.493 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.28 -83.21 0.34 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.13 80.88 0.84 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.265 -1.138 . . . . 0.0 110.22 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.29 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.253 0.549 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -156.45 84.79 0.98 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.91 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.66 -25.97 5.77 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -100.9 -158.19 0.66 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.316 -1.108 . . . . 0.0 110.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 5' ' ' ILE . 5.0 mp -114.69 139.74 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.158 -0.964 . . . . 0.0 110.374 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.36 -160.7 1.0 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.323 -0.861 . . . . 0.0 109.88 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -59.31 113.44 6.99 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.102 -0.999 . . . . 0.0 109.462 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.28 128.63 13.97 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.532 1.28 . . . . 0.0 110.701 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -79.14 168.83 19.94 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.578 1.304 . . . . 0.0 110.374 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.35 -18.98 46.97 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HG ' HD13 ' A' ' 15' ' ' LEU . 14.4 tp -53.84 -32.78 54.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -1.21 . . . . 0.0 110.463 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 HG11 ' C' ' 11' ' ' VAL . 26.3 m -53.41 -57.56 10.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 0.0 110.292 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.31 -26.14 62.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 0.0 110.337 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.06 -55.94 5.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.332 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.665 ' CD2' HG11 ' C' ' 14' ' ' VAL . 9.5 mp -72.27 -58.09 3.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.465 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.561 ' HG2' ' HB1' ' C' ' 7' ' ' ALA . 0.0 OUTLIER -50.87 -45.71 60.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.147 -0.971 . . . . 0.0 110.213 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -54.83 -38.75 65.49 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.5 t80 -63.86 -26.55 68.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -1.056 . . . . 0.0 109.506 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.598 ' CG2' ' HB2' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -77.56 -28.9 51.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.478 -0.764 . . . . 0.0 110.046 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 43.1 t -78.3 -22.08 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.837 . . . . 0.0 110.697 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -91.63 -53.31 4.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.096 -1.002 . . . . 0.0 109.341 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' TYR . 62.0 t -52.12 -40.25 29.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.488 -0.757 . . . . 0.0 110.368 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.521 HD11 HD12 ' B' ' 7' ' ' ILE . 0.2 OUTLIER -77.9 -38.16 46.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.969 . . . . 0.0 110.042 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.7 OUTLIER -69.24 -23.43 63.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.16 -0.962 . . . . 0.0 110.209 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 1.5 pt20 -142.41 66.06 1.34 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 110.343 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.76 98.09 0.15 Allowed Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.983 -0.448 . . . . 0.0 111.543 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -75.19 164.69 32.53 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.936 1.493 . . . . 0.0 110.442 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.17 -29.4 17.51 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.789 1.415 . . . . 0.0 110.354 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -148.67 123.9 10.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.912 . . . . 0.0 110.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD23 ' HG ' ' B' ' 14' ' ' LEU . 4.2 tp -68.16 -39.45 82.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.0 109.914 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 31' ' ' VAL . 40.3 t -52.52 -61.58 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.251 -0.906 . . . . 0.0 109.959 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -61.77 -35.53 78.4 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 0.0 110.15 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 90.3 t80 -68.28 -37.13 80.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.218 -0.926 . . . . 0.0 109.744 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -61.24 -34.31 74.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.308 -0.87 . . . . 0.0 110.073 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG13 ' OG1' ' B' ' 39' ' ' THR . 96.1 t -75.69 -50.97 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 O-C-N 121.238 -0.914 . . . . 0.0 110.339 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -37.13 65.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.831 . . . . 0.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -74.8 -63.39 1.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.174 -0.954 . . . . 0.0 110.465 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' HB3' ' CG2' ' B' ' 35' ' ' VAL . 3.4 m-85 -54.8 -43.06 72.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 0.0 110.544 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.52 ' OG1' HG13 ' B' ' 35' ' ' VAL . 36.1 m -59.54 -38.76 81.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.996 -1.065 . . . . 0.0 109.758 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.46 -27.54 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 0.0 109.838 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' HB3' HG13 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -69.45 -33.17 72.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 109.889 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' CD ' ' OD1' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -68.13 -30.06 69.12 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.263 -0.898 . . . . 0.0 109.682 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.17 -25.97 64.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 0.0 109.908 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.52 18.47 12.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.329 -0.857 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' HE ' HG21 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -70.27 87.09 0.6 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.277 -0.889 . . . . 0.0 110.141 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.251 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 40.7 m80 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.215 0.531 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -57.02 113.09 1.54 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 0.0 110.267 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.73 130.82 40.14 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.42 -59.66 1.87 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.184 -1.186 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.643 ' O ' HG23 ' B' ' 5' ' ' ILE . 5.6 tp -109.9 85.17 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.915 . . . . 0.0 110.309 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -128.55 158.44 38.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.242 -0.912 . . . . 0.0 110.109 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.572 ' O ' HG23 ' B' ' 7' ' ' ILE . 1.0 OUTLIER -53.82 122.53 34.49 Favored Pre-proline 0 C--N 1.305 -1.344 0 O-C-N 121.21 -0.931 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.4 142.67 37.43 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.589 1.31 . . . . 0.0 110.516 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.7 152.14 47.36 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.683 1.359 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.15 -31.14 6.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.52 -37.14 62.52 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -1.176 . . . . 0.0 110.135 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -62.29 -51.07 69.15 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -0.914 . . . . 0.0 110.016 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.57 -43.19 97.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.381 -0.824 . . . . 0.0 109.962 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 14' ' ' LEU . 0.6 OUTLIER -55.57 -52.78 62.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 0.0 110.038 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.15 -40.8 94.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.242 -0.911 . . . . 0.0 110.067 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -43.76 67.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 0.0 109.957 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -56.65 -55.77 28.19 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.94 ' O ' HG23 ' B' ' 22' ' ' VAL . 25.2 t80 -54.93 -43.02 72.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -1.167 . . . . 0.0 110.28 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 13.8 m -57.59 -52.34 65.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.87 . . . . 0.0 110.619 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.72 -23.99 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.188 -0.945 . . . . 0.0 110.356 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.45 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -89.83 -44.3 10.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.091 -1.006 . . . . 0.0 108.98 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.94 HG23 ' O ' ' B' ' 18' ' ' TYR . 45.5 t -53.44 -24.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.782 -0.574 . . . . 0.0 110.19 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.552 HD21 HG22 ' C' ' 18' ' ' VAL . 4.2 mm? -89.77 -49.65 6.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 110.119 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -71.01 0.14 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.891 . . . . 0.0 110.442 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.168 -0.958 . . . . 0.0 110.681 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 54.28 63.25 7.68 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.119 -0.988 . . . . 0.0 109.729 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.66 159.36 51.19 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.592 1.312 . . . . 0.0 110.662 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.19 -26.64 20.89 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.818 1.43 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -147.95 144.28 27.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 0.0 110.198 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 34' ' ' ALA . 0.8 OUTLIER -89.03 -23.76 22.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.254 -0.904 . . . . 0.0 110.287 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.463 ' O ' HG23 ' B' ' 35' ' ' VAL . 40.8 t -53.7 -64.06 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.184 -0.947 . . . . 0.0 110.015 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 42' ' ' ARG . 7.8 t0 -64.33 -48.2 76.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.506 -0.746 . . . . 0.0 109.841 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.418 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 29.4 t80 -54.67 -52.04 63.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.0 109.778 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' B' ' 30' ' ' LEU . . . -50.22 -44.26 53.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.396 -0.815 . . . . 0.0 110.486 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.52 HG13 ' OG1' ' A' ' 39' ' ' THR . 97.0 t -62.78 -38.48 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 121.129 -0.982 . . . . 0.0 110.075 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -71.06 -29.63 65.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 0.0 110.341 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -73.28 -71.33 0.31 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.0 110.457 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.495 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 20.2 m-85 -50.13 -50.09 49.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 0.0 110.611 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.546 ' OG1' HG13 ' A' ' 35' ' ' VAL . 53.4 m -51.67 -35.14 41.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.09 -1.007 . . . . 0.0 109.956 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.91 -43.49 68.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 0.0 109.952 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -39.14 71.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.295 -0.878 . . . . 0.0 110.083 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.424 ' O ' ' NH2' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.02 -51.27 62.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.888 . . . . 0.0 110.169 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.13 -43.16 22.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.167 -0.958 . . . . 0.0 110.012 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' B' ' 46' ' ' ARG . . . 48.48 55.91 8.27 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.875 . . . . 0.0 110.545 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.5 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.364 -0.835 . . . . 0.0 110.68 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.021 -1.05 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.2 0.524 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' C' ' 5' ' ' GLU . 0.2 OUTLIER -92.16 -24.01 19.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.169 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.405 ' CG1' HD22 ' A' ' 23' ' ' LEU . 2.7 mp -54.97 -54.98 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -0.949 . . . . 0.0 110.072 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -13.09 58.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 110.418 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLU . . . . . 0.541 ' HB3' HD13 ' C' ' 2' ' ' LEU . 16.9 tt0 -96.46 -42.31 8.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.964 . . . . 0.0 109.734 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ALA . . . . . 0.675 ' O ' HD13 ' C' ' 10' ' ' ILE . . . -70.35 -33.14 71.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 0.0 109.582 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.598 ' HB2' ' CG2' ' A' ' 19' ' ' THR . . . -75.11 -24.49 58.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.945 . . . . 0.0 109.42 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -38.51 78.74 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.379 -0.826 . . . . 0.0 109.798 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -69.46 -36.79 76.93 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.153 -0.967 . . . . 0.0 109.668 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.675 HD13 ' O ' ' C' ' 6' ' ' ALA . 1.2 mp -53.61 -44.8 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.281 -0.887 . . . . 0.0 108.75 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.652 ' O ' HG23 ' C' ' 15' ' ' ILE . 98.7 t -59.37 -49.81 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.397 -0.814 . . . . 0.0 109.763 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.54 -31.71 71.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 0.0 110.784 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.01 -21.92 25.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 110.722 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.691 ' O ' HG23 ' C' ' 18' ' ' VAL . 89.8 t -90.58 -27.08 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.025 -1.047 . . . . 0.0 109.635 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.652 HG23 ' O ' ' C' ' 11' ' ' VAL . 2.0 pp -85.66 -24.91 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.295 -0.878 . . . . 0.0 109.762 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' C' ' 20' ' ' ALA . 1.2 mt-10 -60.97 -34.99 75.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.45 -41.13 18.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.322 -0.861 . . . . 0.0 109.916 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.691 HG23 ' O ' ' C' ' 14' ' ' VAL . 57.8 t -58.84 -27.92 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 110.058 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -104.89 12.96 31.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.308 -0.87 . . . . 0.0 110.464 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' C' ' 16' ' ' GLU . . . -114.31 -25.32 8.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.087 -1.008 . . . . 0.0 110.234 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.97 79.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.248 -0.907 . . . . 0.0 110.069 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.28 -103.76 0.24 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.97 23.42 1.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -1.154 . . . . 0.0 110.321 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.198 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.208 0.528 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -173.95 -173.05 0.78 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.34 -0.85 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.95 -87.9 0.11 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 13.5 10.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -1.145 . . . . 0.0 110.431 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.7 OUTLIER -125.07 120.57 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.161 -0.962 . . . . 0.0 109.807 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.97 153.86 14.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.065 -1.022 . . . . 0.0 110.56 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -119.94 133.96 23.94 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 0.0 109.807 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.03 112.94 3.68 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.476 1.251 . . . . 0.0 110.752 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -82.35 173.66 10.53 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.549 1.289 . . . . 0.0 110.231 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.68 7.97 61.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.61 -34.08 25.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.902 -1.352 . . . . 0.0 109.946 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.5 m -53.92 -67.81 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -0.851 . . . . 0.0 110.498 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.01 -36.02 37.2 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 0.0 110.668 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.14 -55.55 10.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.086 -1.009 . . . . 0.0 110.421 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -59.0 -53.05 62.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 0.0 110.453 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -28.3 13.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 0.0 110.191 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.37 -49.22 66.86 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.541 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.3 t80 -58.43 -49.64 76.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -1.095 . . . . 0.0 109.809 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.618 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -48.11 -39.37 20.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.331 -0.855 . . . . 0.0 110.447 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.27 -77.26 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 0.0 110.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.48 -44.79 17.87 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.425 -0.797 . . . . 0.0 111.157 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 18' ' ' TYR . 65.3 t -53.2 -35.29 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 0.0 109.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' C' ' 3' ' ' ILE . 1.1 mt -84.61 -25.91 28.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.083 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -60.1 2.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.83 . . . . 0.0 110.214 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.1 -31.69 63.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 110.166 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 50.41 58.68 17.07 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.264 -0.897 . . . . 0.0 110.337 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -71.55 156.47 57.86 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.717 1.377 . . . . 0.0 110.438 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.46 -14.51 30.83 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.652 1.343 . . . . 0.0 110.577 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.73 123.82 4.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 30' ' ' LEU . 4.6 mp -72.97 -29.42 63.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.216 -0.927 . . . . 0.0 109.992 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.534 HG12 ' CD ' ' B' ' 42' ' ' ARG . 20.0 t -56.18 -60.26 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.458 -0.776 . . . . 0.0 109.47 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.77 -44.28 86.28 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.476 -0.765 . . . . 0.0 109.532 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 31.5 t80 -57.69 -49.84 75.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.446 -0.784 . . . . 0.0 109.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.01 -38.73 62.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 0.0 109.963 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 31' ' ' VAL . 79.0 t -68.27 -48.51 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.364 -0.835 . . . . 0.0 110.1 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.27 -24.35 67.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.193 -0.942 . . . . 0.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.2 -67.93 0.71 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.147 -0.97 . . . . 0.0 110.218 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -55.43 -47.41 76.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 0.0 110.474 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.47 ' OG1' HG13 ' B' ' 35' ' ' VAL . 91.0 m -53.22 -50.18 65.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 110.212 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -64.57 -20.24 66.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.243 -0.911 . . . . 0.0 110.069 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.24 -47.79 80.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 109.996 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.517 ' HD2' HG11 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -47.77 -27.85 2.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.329 -0.857 . . . . 0.0 110.893 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.48 -24.05 24.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.2 -0.937 . . . . 0.0 110.355 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.33 51.03 1.28 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.28 -0.887 . . . . 0.0 110.154 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.86 -21.93 10.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.189 -0.944 . . . . 0.0 110.387 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.351 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 t60 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.326 0.584 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.99 125.78 21.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.199 -0.938 . . . . 0.0 110.126 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.87 -138.34 3.66 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.83 35.26 4.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.307 -1.113 . . . . 0.0 110.206 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.614 ' O ' HG23 ' B' ' 5' ' ' ILE . 1.0 OUTLIER -122.37 61.25 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.0 110.203 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.53 ' O ' HD13 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -130.07 -169.63 2.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.265 -0.897 . . . . 0.0 110.451 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.53 HD13 ' O ' ' B' ' 6' ' ' GLN . 42.5 mm -131.97 144.35 52.84 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.371 -0.831 . . . . 0.0 109.942 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' B' ' 7' ' ' ILE . 44.5 Cg_endo -71.25 111.38 3.07 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.534 1.281 . . . . 0.0 110.441 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.21 179.41 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.54 1.284 . . . . 0.0 110.352 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.42 3.45 71.27 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.7 tp -87.64 -36.44 17.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.877 -1.366 . . . . 0.0 110.135 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 86.5 m -67.03 -35.57 80.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.231 -0.918 . . . . 0.0 110.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.05 -56.11 11.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 0.0 110.395 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -43.55 77.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 0.0 110.292 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.62 -42.03 92.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.884 . . . . 0.0 110.41 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.66 -36.92 57.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.925 -1.11 . . . . 0.0 109.754 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 21' ' ' GLU . . . -60.53 -53.16 47.78 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.422 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 9.4 t80 -59.6 -40.2 86.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -1.097 . . . . 0.0 110.243 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.838 ' OG1' HG13 ' C' ' 14' ' ' VAL . 90.1 m -49.31 -62.93 1.27 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.224 -0.922 . . . . 0.0 109.544 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.94 -42.4 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' B' ' 37' ' ' TYR . 1.2 tt0 -51.56 -64.87 0.67 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.572 0.701 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.09 -27.97 2.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.62 -0.675 . . . . 0.0 110.844 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.913 HD11 ' HA ' ' C' ' 18' ' ' VAL . 21.1 mt -84.6 -52.67 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.108 -0.995 . . . . 0.0 110.38 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -41.6 84.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 0.0 110.503 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.409 ' HB3' ' HD3' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -85.81 -36.72 19.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 0.0 110.316 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.4 tt0 51.96 54.47 14.26 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 0.0 110.124 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 49.5 Cg_endo -74.39 150.69 41.73 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.761 1.401 . . . . 0.0 110.597 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.81 -32.72 13.73 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.739 1.389 . . . . 0.0 110.329 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -116.56 120.44 38.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 110.131 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.49 -41.04 18.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.365 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.517 HG11 ' HD2' ' A' ' 42' ' ' ARG . 41.0 t -52.19 -66.05 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.242 -0.911 . . . . 0.0 109.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -38.17 71.09 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.396 -0.815 . . . . 0.0 109.702 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.413 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 26.1 t80 -62.76 -50.86 69.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.364 -0.835 . . . . 0.0 109.669 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.76 -37.77 68.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.321 -0.862 . . . . 0.0 110.09 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.47 HG13 ' OG1' ' A' ' 39' ' ' THR . 80.4 t -67.38 -43.47 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.358 -0.839 . . . . 0.0 110.25 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.74 -32.85 73.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 110.673 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 41.1 t80 -75.71 -67.15 0.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.123 -0.985 . . . . 0.0 110.704 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.24 -48.41 62.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.167 -0.958 . . . . 0.0 110.413 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -52.38 -50.33 62.65 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.256 -0.902 . . . . 0.0 110.247 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -63.01 -31.2 72.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 0.0 110.214 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -42.72 67.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 109.939 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.534 ' CD ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -52.0 -37.49 53.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.892 . . . . 0.0 110.366 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.8 -21.62 44.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.07 85.53 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.185 -0.947 . . . . 0.0 110.083 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -126.61 120.89 30.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.0 110.101 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 19.8 t0 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.166 0.507 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mp -119.71 -29.71 4.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.257 -0.902 . . . . 0.0 110.374 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.545 ' H ' HD12 ' C' ' 3' ' ' ILE . 3.3 mp -74.43 -36.06 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 110.232 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -15.0 62.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.199 -0.938 . . . . 0.0 110.558 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.75 -41.89 7.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 0.0 109.996 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.05 63.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.28 -0.888 . . . . 0.0 109.788 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.647 ' O ' HG23 ' C' ' 11' ' ' VAL . . . -78.53 -20.0 51.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 109.652 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -35.63 48.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 0.0 110.069 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -82.75 -43.57 16.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 110.08 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.486 HG23 ' N ' ' C' ' 11' ' ' VAL . 12.3 tt -53.29 -42.05 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.1 -1.0 . . . . 0.0 109.603 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.647 HG23 ' O ' ' C' ' 7' ' ' ALA . 87.8 t -64.82 -44.62 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 0.0 109.324 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.54 -42.81 44.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.381 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.4 91.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.246 -0.908 . . . . 0.0 110.108 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.838 HG13 ' OG1' ' B' ' 19' ' ' THR . 40.9 t -71.72 -39.21 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 0.0 109.877 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.447 ' N ' HD12 ' C' ' 15' ' ' ILE . 1.6 mp -75.49 -21.71 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.123 -0.985 . . . . 0.0 109.476 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' C' ' 20' ' ' ALA . 0.3 OUTLIER -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 0.0 110.022 179.777 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' C' ' 21' ' ' ALA . 0.4 OUTLIER -74.56 -37.88 62.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 0.0 110.17 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.913 ' HA ' HD11 ' B' ' 23' ' ' LEU . 95.2 t -57.81 -48.31 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.373 -0.83 . . . . 0.0 110.076 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -79.99 -20.57 45.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.298 -0.876 . . . . 0.0 110.35 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' C' ' 16' ' ' GLU . . . -108.86 42.08 1.48 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.254 -0.904 . . . . 0.0 110.378 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' C' ' 17' ' ' GLN . . . -127.74 -40.53 1.73 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.172 -0.955 . . . . 0.0 110.174 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.69 105.95 0.6 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.25 -40.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -1.088 . . . . 0.0 110.259 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.7 m170 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.269 0.557 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.1 mmt -99.22 168.74 9.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.932 . . . . 0.0 110.063 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.67 90.14 0.08 OUTLIER Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.538 ' C ' HD12 ' A' ' 5' ' ' ILE . 1.9 t60 -101.66 41.89 1.17 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -1.148 . . . . 0.0 110.004 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.67 ' N ' HD12 ' A' ' 5' ' ' ILE . 4.6 mp -122.92 142.92 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.24 -0.913 . . . . 0.0 110.288 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.75 58.43 1.31 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 109.661 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.519 HD13 HD21 ' B' ' 23' ' ' LEU . 1.7 tp -69.59 130.8 90.2 Favored Pre-proline 0 C--N 1.306 -1.303 0 O-C-N 121.343 -0.848 . . . . 0.0 110.386 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -76.15 122.78 6.83 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.539 1.284 . . . . 0.0 110.089 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.03 169.85 19.52 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.392 1.206 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.04 -26.89 9.51 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -37.17 79.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -1.163 . . . . 0.0 110.387 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.615 HG23 ' CG1' ' C' ' 11' ' ' VAL . 98.1 m -56.31 -55.79 29.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.24 -0.913 . . . . 0.0 110.2 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -47.31 64.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.302 -0.874 . . . . 0.0 110.216 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.12 -50.54 72.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.0 110.126 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.798 HD21 HD12 ' B' ' 15' ' ' LEU . 1.2 mp -62.16 -51.15 68.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.994 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' HG3' HG21 ' C' ' 11' ' ' VAL . 1.9 tt0 -51.13 -41.91 60.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.246 -0.909 . . . . 0.0 110.188 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -58.04 -52.66 51.05 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.637 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.6 t80 -55.1 -25.36 30.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -1.113 . . . . 0.0 110.059 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.527 ' CG2' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.9 -38.36 73.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 0.0 110.349 -179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 59.4 t -73.91 -17.95 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.12 -0.988 . . . . 0.0 110.602 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 1.2 mt-10 -89.88 -49.12 6.8 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.032 -1.043 . . . . 0.0 108.927 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.716 HG11 HD11 ' B' ' 11' ' ' LEU . 76.3 t -51.97 -33.5 16.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.597 -0.689 . . . . 0.0 110.109 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.756 HD13 HG23 ' C' ' 3' ' ' ILE . 0.3 OUTLIER -87.44 -44.42 11.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -0.901 . . . . 0.0 110.161 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -61.96 -55.49 28.86 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.153 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.44 -34.03 65.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.288 -0.882 . . . . 0.0 110.095 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 52.2 55.52 14.98 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 0.0 110.182 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 26' ' ' GLN . 44.8 Cg_endo -71.17 152.38 61.86 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.709 1.373 . . . . 0.0 110.446 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.35 -24.14 23.17 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.754 1.397 . . . . 0.0 110.337 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -128.94 122.05 29.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.84 -37.01 30.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.263 -0.898 . . . . 0.0 109.884 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 t -53.56 -64.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.335 -0.853 . . . . 0.0 109.762 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.5 -38.12 71.32 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.504 -0.747 . . . . 0.0 109.946 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.52 -48.79 76.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 109.947 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.14 -30.72 64.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.391 -0.818 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.648 HG13 ' OG1' ' B' ' 39' ' ' THR . 91.2 t -74.78 -36.67 40.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.242 -0.912 . . . . 0.0 110.39 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.48 -31.68 62.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.205 -0.934 . . . . 0.0 110.538 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 24.2 t80 -75.68 -66.71 0.75 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 0.0 110.51 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.54 -47.75 48.83 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.25 -0.906 . . . . 0.0 110.545 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.553 ' OG1' HG13 ' B' ' 35' ' ' VAL . 27.8 m -53.47 -42.44 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.078 -1.014 . . . . 0.0 109.921 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -68.6 -37.73 80.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.179 -0.951 . . . . 0.0 110.006 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.15 -24.8 67.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 0.0 110.158 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -69.94 -25.54 63.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.261 -0.899 . . . . 0.0 109.551 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.69 -39.95 5.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.352 -0.842 . . . . 0.0 109.83 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.86 45.48 27.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.416 -0.802 . . . . 0.0 110.39 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.13 80.31 0.11 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.256 -0.903 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.226 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.304 0.573 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -115.36 172.29 7.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 110.189 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.62 163.71 13.04 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.581 ' C ' HD12 ' B' ' 5' ' ' ILE . 0.4 OUTLIER -134.44 24.81 3.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.227 -1.161 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.581 HD12 ' C ' ' B' ' 4' ' ' HIS . 4.6 mp -132.19 86.35 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.171 -0.955 . . . . 0.0 110.189 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.95 170.41 9.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.075 -1.016 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -106.73 117.58 56.46 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 110.121 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.18 129.86 16.74 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.477 1.251 . . . . 0.0 110.335 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.03 174.36 12.11 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.514 1.271 . . . . 0.0 110.536 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.35 -27.49 13.8 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.716 HD11 HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -65.43 -45.18 84.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.222 -1.163 . . . . 0.0 110.291 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.5 m -67.37 -36.07 80.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.18 -0.95 . . . . 0.0 110.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.56 -46.31 89.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.373 -0.829 . . . . 0.0 110.447 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -49.15 66.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 0.0 110.348 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.798 HD12 HD21 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -57.93 -34.2 69.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.194 -0.941 . . . . 0.0 110.334 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -53.68 55.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.076 -1.015 . . . . 0.0 109.961 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.98 55.3 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.102 -1.599 . . . . 0.0 109.102 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.565 ' O ' HG23 ' B' ' 22' ' ' VAL . 40.1 t80 -67.73 -47.49 69.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.988 . . . . 0.0 109.449 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.403 ' OG1' HG13 ' C' ' 14' ' ' VAL . 93.2 m -50.5 -30.76 13.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.809 . . . . 0.0 110.094 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.02 -72.07 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.416 -0.803 . . . . 0.0 109.955 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 9.5 pt-20 -47.32 -35.3 7.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.861 . . . . 0.0 110.746 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 18' ' ' TYR . 41.7 t -56.58 -46.29 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.93 . . . . 0.0 109.846 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.697 HD11 ' O ' ' C' ' 18' ' ' VAL . 6.2 mt -78.68 -22.52 46.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 0.0 110.25 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' B' ' 21' ' ' GLU . 11.4 mmt180 -81.52 -67.21 0.8 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 0.0 110.211 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.415 ' HB3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -54.92 -29.59 56.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.125 -0.984 . . . . 0.0 109.982 179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 51.16 55.52 16.28 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 0.0 110.504 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' B' ' 25' ' ' GLN . 46.9 Cg_endo -73.62 151.25 46.63 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.631 1.332 . . . . 0.0 110.338 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.01 -46.63 1.06 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.666 1.35 . . . . 0.0 109.913 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' B' ' 29' ' ' ASP . 30.6 p-10 -111.94 119.13 37.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.403 -0.81 . . . . 0.0 109.842 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -33.28 64.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.264 -0.898 . . . . 0.0 110.598 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.461 ' O ' HG23 ' B' ' 35' ' ' VAL . 46.6 t -50.67 -65.93 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 0.0 110.112 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.4 ' HB2' ' OD2' ' B' ' 29' ' ' ASP . 8.0 t0 -53.78 -39.38 65.37 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.538 -0.726 . . . . 0.0 110.014 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.403 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 20.6 t80 -61.33 -55.34 32.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.237 -0.914 . . . . 0.0 109.599 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.503 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -52.71 -34.19 51.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.803 . . . . 0.0 110.169 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.553 HG13 ' OG1' ' A' ' 39' ' ' THR . 97.8 t -73.17 -39.95 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.213 -0.929 . . . . 0.0 110.393 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -70.16 -37.89 75.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.198 -0.939 . . . . 0.0 110.54 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -70.37 -66.85 0.55 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.214 -0.929 . . . . 0.0 110.492 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -49.09 -47.58 45.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.87 . . . . 0.0 110.708 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.648 ' OG1' HG13 ' A' ' 35' ' ' VAL . 27.1 m -56.31 -38.88 71.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -31.24 51.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.938 . . . . 0.0 110.251 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.03 83.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 0.0 110.237 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -20.91 63.84 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.204 -0.935 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -121.38 14.59 11.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 110.401 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.74 -39.23 68.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 0.0 110.131 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -164.57 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.889 . . . . 0.0 110.159 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.302 0.573 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.61 -22.67 23.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.274 -0.891 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.756 HG23 HD13 ' A' ' 23' ' ' LEU . 35.0 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.0 109.887 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.88 -23.06 6.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 110.166 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.32 -55.12 3.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.713 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.89 81.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.265 -0.897 . . . . 0.0 109.698 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.628 ' O ' HG22 ' C' ' 10' ' ' ILE . . . -68.17 -43.46 78.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -0.921 . . . . 0.0 109.269 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 27.2 t -53.53 -29.2 35.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.818 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.18 73.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.204 -0.935 . . . . 0.0 110.254 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.628 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.6 OUTLIER -52.95 -34.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.116 -0.99 . . . . 0.0 109.765 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.615 ' CG1' HG23 ' A' ' 12' ' ' THR . 93.9 t -69.47 -38.55 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.772 . . . . 0.0 109.736 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.3 -39.59 93.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.564 -0.71 . . . . 0.0 110.733 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.25 -23.1 38.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.943 . . . . 0.0 110.737 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 15' ' ' LEU . 69.6 t -89.77 -25.31 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.023 -1.048 . . . . 0.0 109.622 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.599 HG22 ' O ' ' C' ' 11' ' ' VAL . 5.0 tt -85.28 -20.42 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.42 -0.8 . . . . 0.0 109.913 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -70.51 -23.66 62.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' C' ' 21' ' ' ALA . 56.3 mt-30 -101.92 -43.43 5.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.275 -0.891 . . . . 0.0 110.892 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.697 ' O ' HD11 ' B' ' 23' ' ' LEU . 5.8 p -51.03 -42.07 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.095 -1.003 . . . . 0.0 110.558 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.474 ' N ' ' CG1' ' C' ' 18' ' ' VAL . 29.5 tttt -79.47 -24.77 42.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.464 -0.773 . . . . 0.0 110.245 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.45 32.12 5.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.0 110.311 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' C' ' 17' ' ' GLN . . . -116.29 -23.45 8.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.2 -0.937 . . . . 0.0 110.285 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.29 -33.04 81.32 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.22 15.0 30.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.138 -1.213 . . . . 0.0 110.419 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.379 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.155 0.503 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -63.99 1.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.14 -0.975 . . . . 0.0 110.118 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.35 -123.06 6.65 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -136.25 125.95 25.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.336 -1.097 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.695 ' N ' HD12 ' A' ' 5' ' ' ILE . 5.3 mp -118.95 77.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.937 . . . . 0.0 110.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -110.99 28.24 8.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.18 -0.95 . . . . 0.0 110.076 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.618 HG23 HG12 ' C' ' 18' ' ' VAL . 4.2 mp -132.28 118.31 16.04 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.375 -0.828 . . . . 0.0 109.86 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.45 112.06 3.37 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.378 1.199 . . . . 0.0 110.688 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -75.38 171.92 17.32 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.566 1.298 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.57 -2.85 85.01 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.904 -1.141 . . . . 0.0 110.305 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.67 -20.11 57.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.361 . . . . 0.0 110.414 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.587 HG23 HG11 ' C' ' 11' ' ' VAL . 27.3 m -73.46 -62.51 1.46 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 0.0 110.251 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.72 -22.76 9.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 0.0 110.384 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.95 -57.46 3.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.142 -0.974 . . . . 0.0 110.19 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.94 -55.51 34.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 0.0 110.008 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.473 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.0 OUTLIER -51.28 -44.26 61.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.877 . . . . 0.0 109.962 179.647 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -57.38 -48.05 83.44 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.5 t80 -58.73 -27.02 64.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.48 -1.012 . . . . 0.0 110.232 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.578 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -69.7 -39.28 76.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 110.163 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.51 -26.63 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.071 -1.018 . . . . 0.0 110.511 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -77.92 -54.32 6.44 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.135 -0.978 . . . . 0.0 108.702 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.884 HG11 HD21 ' A' ' 30' ' ' LEU . 81.8 t -50.08 -33.11 9.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 121.338 0.59 . . . . 0.0 109.947 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' B' ' 7' ' ' ILE . 3.0 mm? -81.56 -36.49 29.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 0.0 109.814 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -68.54 0.42 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.389 -0.819 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -56.82 -30.48 63.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 110.64 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.59 59.36 15.4 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 110.076 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.93 164.62 35.05 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.592 1.311 . . . . 0.0 110.723 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.24 -20.74 32.19 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.777 1.409 . . . . 0.0 110.257 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -162.24 145.93 11.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.381 -0.824 . . . . 0.0 110.105 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.884 HD21 HG11 ' A' ' 22' ' ' VAL . 6.3 mp -85.89 -22.15 27.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.226 -0.921 . . . . 0.0 109.95 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.608 HG12 ' HG2' ' B' ' 42' ' ' ARG . 22.0 t -56.38 -58.47 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 0.0 109.719 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.27 -45.16 73.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.537 -0.727 . . . . 0.0 109.999 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.44 -49.13 79.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.0 109.627 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 30' ' ' LEU . . . -56.68 -40.98 76.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 0.0 109.856 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 31' ' ' VAL . 69.9 t -71.41 -28.38 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.338 -0.851 . . . . 0.0 109.819 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -28.37 22.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.296 -0.877 . . . . 0.0 109.382 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 41.3 t80 -80.41 -52.69 7.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.275 -0.891 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -66.12 -43.49 87.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 0.0 110.648 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.519 ' OG1' HG13 ' B' ' 35' ' ' VAL . 24.0 m -57.81 -44.51 86.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.114 -0.991 . . . . 0.0 109.78 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -63.67 -26.58 68.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 0.0 109.86 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -38.68 81.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 0.0 109.826 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -23.28 66.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 0.0 110.173 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -100.19 12.04 37.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 110.574 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.37 48.8 1.26 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.023 -1.048 . . . . 0.0 110.041 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.56 84.68 2.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 110.077 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.271 0.558 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 4.0 ttm -143.75 -179.72 6.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.91 . . . . 0.0 110.19 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 93.48 141.45 10.94 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -163.02 53.46 0.18 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -1.115 . . . . 0.0 110.199 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 7.4 tp -120.65 143.01 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 0.0 110.309 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.586 ' C ' HD12 ' B' ' 7' ' ' ILE . 0.3 OUTLIER -116.79 41.49 2.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.176 -0.952 . . . . 0.0 110.305 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.586 HD12 ' C ' ' B' ' 6' ' ' GLN . 4.1 mp -139.97 135.17 16.25 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.283 -0.886 . . . . 0.0 109.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.66 133.56 20.6 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.621 1.327 . . . . 0.0 110.375 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.19 -178.14 3.07 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 123.559 1.294 . . . . 0.0 110.506 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.89 1.04 90.6 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 30' ' ' LEU . 2.1 tp -87.94 -41.8 12.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.864 -1.374 . . . . 0.0 110.325 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 m -62.13 -54.8 36.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 0.0 110.407 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.39 -53.42 56.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -52.14 64.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 0.0 110.498 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.461 HD11 ' HG ' ' B' ' 11' ' ' LEU . 96.0 mt -61.22 -44.39 97.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.247 -0.908 . . . . 0.0 110.455 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.09 -45.94 61.64 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.12 -0.987 . . . . 0.0 110.416 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.38 -45.27 84.05 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.407 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 5.8 t80 -65.14 -38.22 89.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -1.15 . . . . 0.0 110.145 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.0 m -50.96 -57.31 8.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.081 -1.012 . . . . 0.0 109.24 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.95 -47.11 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 18' ' ' TYR . 0.1 OUTLIER -49.0 -65.72 0.52 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.495 0.664 . . . . 0.0 110.874 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.06 -40.36 45.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.449 -0.782 . . . . 0.0 110.332 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.617 HD13 ' HA ' ' C' ' 18' ' ' VAL . 14.6 tp -72.04 -11.08 60.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.143 -0.973 . . . . 0.0 110.682 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 -58.54 1.91 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 0.0 110.323 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.28 -37.03 74.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.358 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.37 56.14 15.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 0.0 110.013 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.449 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 45.2 Cg_endo -71.14 162.15 43.54 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.65 1.342 . . . . 0.0 110.822 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.85 -37.24 5.25 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.757 1.399 . . . . 0.0 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -120.45 120.94 37.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.294 -0.879 . . . . 0.0 110.165 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.95 -33.4 57.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.259 -0.9 . . . . 0.0 109.97 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.577 ' O ' HG23 ' B' ' 35' ' ' VAL . 33.9 t -54.64 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.68 -35.06 68.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.403 -0.811 . . . . 0.0 109.861 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.449 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 29.7 t80 -66.79 -50.83 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 0.0 109.632 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 -29.96 58.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.894 . . . . 0.0 109.774 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 31' ' ' VAL . 97.7 t -73.18 -54.71 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.327 -0.858 . . . . 0.0 110.14 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.65 -36.53 56.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.192 -0.943 . . . . 0.0 110.511 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -67.37 -74.73 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 0.0 110.718 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -53.05 -42.62 65.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 110.765 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.423 ' OG1' HG13 ' A' ' 35' ' ' VAL . 45.1 m -52.58 -52.67 54.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.963 -1.086 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -30.26 69.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.51 -20.48 64.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.608 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -78.39 -22.83 47.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.134 -0.979 . . . . 0.0 110.295 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -110.37 15.37 22.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 0.0 110.424 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -111.37 67.65 0.65 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.025 -1.047 . . . . 0.0 110.358 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -119.03 44.8 2.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.941 . . . . 0.0 110.219 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.122 -0.986 . . . . 0.0 110.201 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.184 0.516 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp -121.36 14.51 11.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.859 . . . . 0.0 110.556 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 mt -80.15 -51.12 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.1 -1.0 . . . . 0.0 110.47 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.96 -20.33 15.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.169 -0.957 . . . . 0.0 110.121 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.36 -42.75 12.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 0.0 109.568 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.2 -27.95 61.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.792 . . . . 0.0 109.994 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.578 ' HB1' ' HB ' ' A' ' 19' ' ' THR . . . -80.33 -21.45 42.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 109.953 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.9 p -80.12 -34.17 38.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.134 -0.979 . . . . 0.0 109.873 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -47.93 29.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 0.0 110.207 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.502 HG23 ' N ' ' C' ' 11' ' ' VAL . 0.7 OUTLIER -53.72 -42.55 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 109.421 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.587 HG11 HG23 ' A' ' 12' ' ' THR . 53.0 t -64.86 -27.08 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.07 -34.07 76.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -41.05 62.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 0.0 110.595 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.607 ' O ' HG23 ' C' ' 18' ' ' VAL . 35.0 t -66.68 -45.48 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.046 -1.034 . . . . 0.0 109.728 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.461 HG22 ' O ' ' C' ' 11' ' ' VAL . 8.7 tp -66.64 -19.8 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.025 . . . . 0.0 110.19 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' C' ' 20' ' ' ALA . 1.0 OUTLIER -79.02 -31.31 44.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -44.46 12.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.89 . . . . 0.0 110.264 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 7' ' ' ILE . 62.1 t -55.21 -20.89 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.307 -0.871 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -111.29 -9.96 14.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.248 -0.907 . . . . 0.0 110.771 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' C' ' 16' ' ' GLU . . . -92.56 25.2 3.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.957 -1.089 . . . . 0.0 110.404 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -51.76 52.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.197 -0.939 . . . . 0.0 110.16 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' C' ' 23' ' ' ALA . . . 98.89 -22.42 41.04 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' C' ' 22' ' ' GLY . . . 54.43 64.16 1.91 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.25 -1.147 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.167 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.223 0.535 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.1 ttt -163.59 117.53 1.55 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.97 169.89 24.22 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.54 -53.82 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.249 -1.148 . . . . 0.0 110.213 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 tp -125.18 137.13 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.824 . . . . 0.0 110.282 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.615 ' C ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -159.19 35.8 0.2 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.213 -0.929 . . . . 0.0 110.47 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.626 HG23 HG12 ' C' ' 18' ' ' VAL . 4.5 mp -135.28 110.8 10.71 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 0.0 110.079 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 116.04 4.53 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.463 1.243 . . . . 0.0 110.269 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.54 176.72 8.36 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.516 1.272 . . . . 0.0 110.682 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.15 1.46 81.78 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD11 HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -80.59 -6.62 58.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.861 -1.376 . . . . 0.0 110.631 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 m -74.69 -65.52 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.022 -1.049 . . . . 0.0 110.44 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -40.13 57.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.323 -0.861 . . . . 0.0 110.526 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 14' ' ' LEU . 89.2 mt -59.52 -61.66 2.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 0.0 110.409 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.891 ' CD1' HD22 ' B' ' 15' ' ' LEU . 2.8 mm? -59.04 -67.38 0.38 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.217 -0.927 . . . . 0.0 110.588 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.522 ' OE1' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -49.08 -37.44 21.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.187 -0.946 . . . . 0.0 110.463 -179.755 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.89 57.31 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 7.5 t80 -73.7 -47.27 40.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.553 -0.969 . . . . 0.0 109.57 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.858 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.59 -29.2 36.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 0.0 109.802 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.522 HG23 ' OE1' ' A' ' 16' ' ' GLN . 78.7 t -76.21 -77.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.357 -0.839 . . . . 0.0 110.582 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 9.5 pt-20 -47.22 -43.18 21.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 0.0 111.159 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.585 HG11 HD11 ' A' ' 30' ' ' LEU . 95.3 t -57.94 -39.23 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 0.0 110.06 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' C' ' 3' ' ' ILE . 9.0 mt -84.27 -58.78 2.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.133 -0.979 . . . . 0.0 110.384 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.82 -57.86 10.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 0.0 110.313 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -90.61 59.73 4.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.938 . . . . 0.0 110.096 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -36.55 97.35 0.13 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.918 -0.489 . . . . 0.0 111.712 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -75.76 164.13 32.48 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.942 1.496 . . . . 0.0 110.404 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.64 -44.5 1.45 Allowed 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.599 1.315 . . . . 0.0 110.062 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.56 122.25 23.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.476 -0.765 . . . . 0.0 109.835 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.9 -43.83 91.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 0.0 109.893 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' H ' HG23 ' A' ' 31' ' ' VAL . 40.4 t -54.27 -59.61 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.322 -0.861 . . . . 0.0 109.566 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.68 -38.39 84.81 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.553 -0.717 . . . . 0.0 109.845 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.74 -39.44 94.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 109.641 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -61.68 -40.68 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.391 -0.818 . . . . 0.0 109.848 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG13 ' OG1' ' B' ' 39' ' ' THR . 87.5 t -74.98 -37.47 41.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.25 -26.2 61.02 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.292 -0.88 . . . . 0.0 109.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 34.1 t80 -78.69 -66.43 0.86 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 0.0 110.465 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' HB3' HG23 ' B' ' 35' ' ' VAL . 27.8 m-85 -54.94 -48.85 72.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 110.564 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HG13 ' B' ' 35' ' ' VAL . 52.1 m -52.43 -46.86 66.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.947 -1.096 . . . . 0.0 109.902 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -28.94 67.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 0.0 109.855 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.27 -41.45 84.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 0.0 109.83 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -44.68 54.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.117 -0.99 . . . . 0.0 110.141 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -89.81 10.86 21.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.334 -0.854 . . . . 0.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.22 32.95 2.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.999 -1.063 . . . . 0.0 109.954 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -154.18 -58.75 0.12 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.334 -0.854 . . . . 0.0 110.23 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.093 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 26.7 t60 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.25 0.548 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.9 mtp -104.56 158.91 16.17 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 0.0 110.202 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.44 -147.62 5.43 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.453 ' O ' ' CD2' ' B' ' 4' ' ' HIS . 47.6 p-80 -166.74 77.09 0.19 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -1.137 . . . . 0.0 110.124 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 tp -103.15 147.38 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.144 -0.972 . . . . 0.0 110.433 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -155.32 36.17 0.38 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.411 -0.806 . . . . 0.0 110.016 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 mm -128.0 127.61 23.85 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.313 -0.867 . . . . 0.0 110.204 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.416 ' HD2' HD21 ' A' ' 23' ' ' LEU . 47.1 Cg_endo -72.71 119.2 5.95 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.424 1.223 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.06 164.35 35.74 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.402 1.212 . . . . 0.0 110.385 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.59 76.08 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -87.71 -38.71 15.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.186 -1.184 . . . . 0.0 110.055 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -71.35 -36.77 71.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 0.0 109.955 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.34 -50.94 71.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.33 -0.856 . . . . 0.0 109.982 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.46 -43.23 71.5 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 0.0 109.964 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.891 HD22 ' CD1' ' A' ' 15' ' ' LEU . 37.3 mt -71.69 -40.32 69.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 110.027 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -45.02 73.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.0 109.734 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -57.15 -51.73 55.7 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.705 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.8 t80 -55.15 -31.58 61.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -1.154 . . . . 0.0 110.084 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.0 m -68.43 -43.93 76.04 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.859 . . . . 0.0 110.43 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.26 -19.89 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.218 -0.927 . . . . 0.0 110.562 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.455 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.4 mt-10 -89.98 -48.92 6.9 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.145 -0.972 . . . . 0.0 108.992 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 18' ' ' TYR . 97.5 t -52.59 -25.31 7.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.711 -0.618 . . . . 0.0 110.023 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -90.15 -36.9 14.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.294 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -57.5 3.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 0.0 110.386 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -62.73 -39.93 95.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 0.0 110.557 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 54.27 54.62 11.4 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.284 -0.885 . . . . 0.0 109.997 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 47.6 Cg_endo -71.36 156.32 58.84 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.731 1.385 . . . . 0.0 110.62 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.15 -37.89 5.52 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.712 1.375 . . . . 0.0 110.22 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.71 130.9 55.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 0.0 110.011 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.423 HD13 HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -86.79 -39.12 16.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.317 -0.865 . . . . 0.0 110.324 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -49.5 -67.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 0.0 110.25 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -55.23 -42.4 73.35 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.419 -0.801 . . . . 0.0 109.7 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -57.53 -51.97 67.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.874 . . . . 0.0 109.684 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -48.92 -34.96 13.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.396 -0.815 . . . . 0.0 110.503 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.569 HG13 ' OG1' ' A' ' 39' ' ' THR . 88.5 t -70.96 -51.41 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.128 -0.982 . . . . 0.0 109.965 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.28 -30.32 59.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.347 -0.846 . . . . 0.0 110.166 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.455 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 29.8 t80 -74.75 -73.48 0.24 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 0.0 110.378 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 35' ' ' VAL . 15.2 m-85 -49.48 -42.36 43.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.213 -0.929 . . . . 0.0 110.536 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' HG13 ' A' ' 35' ' ' VAL . 53.4 m -53.67 -43.55 68.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.205 -0.935 . . . . 0.0 109.962 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -27.76 69.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 0.0 110.099 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -25.33 63.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 110.072 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -18.73 62.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' B' ' 43' ' ' GLU . 4.4 tp10 -78.81 -23.43 45.15 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.215 -0.928 . . . . 0.0 109.715 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.46 30.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 0.0 110.188 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.46 -166.15 0.58 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.235 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.275 0.56 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -54.13 49.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.262 -0.899 . . . . 0.0 110.249 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.514 HG23 ' CD1' ' A' ' 23' ' ' LEU . 8.6 mt -59.8 -49.35 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.377 -0.827 . . . . 0.0 110.278 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -57.57 -19.51 26.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.315 -0.865 . . . . 0.0 110.396 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.52 -50.88 5.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 0.0 109.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.98 77.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 0.0 109.783 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.858 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -72.49 -22.99 60.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.173 -0.954 . . . . 0.0 109.444 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -67.91 -45.71 73.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.314 -0.866 . . . . 0.0 109.642 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -62.13 -36.21 81.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' C' ' 10' ' ' ILE . 12.6 mm -53.73 -42.86 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 0.0 109.275 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.456 HG21 ' HG3' ' A' ' 16' ' ' GLN . 98.3 t -66.14 -45.39 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 0.0 110.017 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -61.54 -29.09 69.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.313 -0.867 . . . . 0.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.68 -26.37 34.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.0 110.452 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.569 ' O ' HG23 ' C' ' 18' ' ' VAL . 69.9 t -87.57 -26.53 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.145 -0.972 . . . . 0.0 109.723 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.47 -23.96 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 0.0 109.704 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.64 -33.31 75.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.221 -0.925 . . . . 0.0 110.212 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.589 ' O ' ' HB3' ' C' ' 21' ' ' ALA . 0.0 OUTLIER -86.41 -40.75 15.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 0.0 110.107 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.626 HG12 HG23 ' A' ' 7' ' ' ILE . 58.6 t -66.17 -12.74 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.835 . . . . 0.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -103.98 -57.47 2.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.087 -1.008 . . . . 0.0 110.574 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.45 68.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -0.884 . . . . 0.0 110.555 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' C' ' 17' ' ' GLN . . . -93.83 16.71 13.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.141 -0.974 . . . . 0.0 110.489 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.56 51.01 2.35 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.13 -80.54 0.1 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.336 -1.096 . . . . 0.0 110.16 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.206 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 54.2 m80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.249 0.547 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.97 68.51 0.84 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.224 -0.923 . . . . 0.0 110.147 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.42 69.4 0.25 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -140.04 60.25 1.56 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.145 -1.209 . . . . 0.0 110.144 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.61 139.41 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.264 -0.897 . . . . 0.0 110.14 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -158.45 -157.56 0.63 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 110.198 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.704 ' N ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -121.49 145.95 43.94 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.231 -0.918 . . . . 0.0 109.75 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.47 113.77 3.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.772 1.407 . . . . 0.0 110.367 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.92 -172.97 1.39 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.496 1.261 . . . . 0.0 110.186 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.1 13.35 60.6 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.634 HD22 HD11 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -89.61 -29.69 18.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.259 . . . . 0.0 109.968 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.635 HG23 HG11 ' C' ' 11' ' ' VAL . 94.1 m -62.16 -60.32 3.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.27 -25.77 49.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.273 -0.892 . . . . 0.0 110.023 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' B' ' 30' ' ' LEU . 1.1 tp -78.9 -51.06 10.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 0.0 110.188 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 11' ' ' LEU . 82.0 mt -68.05 -55.3 13.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' HG2' ' HB1' ' C' ' 7' ' ' ALA . 1.0 OUTLIER -49.71 -45.25 48.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.1 -1.0 . . . . 0.0 110.197 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -54.0 -42.35 70.62 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HH ' ' HD2' ' A' ' 33' ' ' PHE . 5.3 t80 -61.76 -32.8 73.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.381 -1.07 . . . . 0.0 109.923 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.628 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -66.3 -31.33 72.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.312 -0.868 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.563 ' HA ' HG21 ' C' ' 3' ' ' ILE . 60.7 t -79.63 -21.66 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 0.0 110.504 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -91.46 -48.95 6.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.113 -0.992 . . . . 0.0 109.157 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.668 HG13 HD21 ' A' ' 30' ' ' LEU . 92.9 t -57.42 -32.27 40.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.624 -0.672 . . . . 0.0 110.417 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' C' ' 3' ' ' ILE . 4.0 mt -86.14 -33.96 20.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -78.52 -71.8 0.41 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.246 -0.909 . . . . 0.0 110.325 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.58 -34.19 24.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.329 -0.857 . . . . 0.0 110.475 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 52.39 56.35 15.2 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.87 . . . . 0.0 110.206 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.31 151.76 66.13 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.633 1.333 . . . . 0.0 110.423 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.03 -30.57 16.24 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.685 1.361 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.9 p30 -115.38 130.87 57.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.356 -0.84 . . . . 0.0 110.205 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.668 HD21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -90.42 -49.37 6.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.222 -0.923 . . . . 0.0 110.108 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.5 -62.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.265 -0.897 . . . . 0.0 109.894 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -54.55 -34.61 62.12 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.606 -0.684 . . . . 0.0 109.865 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' HD2' ' HH ' ' A' ' 18' ' ' TYR . 56.1 t80 -65.78 -46.82 77.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.918 . . . . 0.0 109.66 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.09 -33.76 58.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.348 -0.845 . . . . 0.0 109.999 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG13 ' OG1' ' B' ' 39' ' ' THR . 93.1 t -72.07 -54.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.313 -0.867 . . . . 0.0 110.159 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.01 -36.86 63.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 0.0 110.539 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 5.9 t80 -65.93 -76.96 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.262 -0.899 . . . . 0.0 110.459 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.408 ' HB3' HG23 ' B' ' 35' ' ' VAL . 34.1 m-85 -48.76 -47.9 41.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 0.0 110.908 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.479 ' OG1' HG13 ' B' ' 35' ' ' VAL . 67.4 m -50.43 -32.45 17.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.171 -0.956 . . . . 0.0 110.666 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.67 21.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 0.0 109.974 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -56.09 -21.99 25.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.338 -0.851 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -27.4 60.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.179 -0.95 . . . . 0.0 109.871 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -101.13 13.26 35.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 110.523 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.19 24.46 11.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.152 -0.968 . . . . 0.0 110.212 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -21.87 53.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.907 . . . . 0.0 110.247 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.413 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.262 0.554 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.57 90.29 7.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.948 . . . . 0.0 110.239 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.63 -166.53 12.0 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -125.57 71.26 1.21 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.249 -1.147 . . . . 0.0 110.044 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.89 152.45 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.339 -0.851 . . . . 0.0 110.169 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.464 ' O ' HD13 ' B' ' 7' ' ' ILE . 3.5 pt20 -146.68 68.52 1.17 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.206 -0.934 . . . . 0.0 110.525 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.464 HD13 ' O ' ' B' ' 6' ' ' GLN . 39.7 mm -122.38 142.28 36.71 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.123 -0.986 . . . . 0.0 109.918 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -72.23 136.44 26.75 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.534 1.281 . . . . 0.0 110.532 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.99 160.76 39.81 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.64 1.337 . . . . 0.0 110.493 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.1 -21.21 41.29 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.486 HD13 HG11 ' A' ' 22' ' ' VAL . 3.6 tp -71.6 -50.4 31.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.221 -1.164 . . . . 0.0 110.433 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.8 m -54.6 -63.03 1.28 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 0.0 110.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.38 -52.99 40.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.23 -35.95 65.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.521 HD11 HD22 ' A' ' 15' ' ' LEU . 1.6 mm? -74.74 -51.66 13.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -39.48 58.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.124 -0.985 . . . . 0.0 110.169 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.55 66.48 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.416 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 8.1 t80 -62.07 -39.72 93.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.308 -1.113 . . . . 0.0 110.111 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.598 ' OG1' HG22 ' C' ' 14' ' ' VAL . 54.1 m -50.61 -61.33 2.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.044 -1.035 . . . . 0.0 109.316 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.11 -41.05 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 0.1 OUTLIER -53.45 -63.97 0.97 Allowed 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.316 0.579 . . . . 0.0 111.088 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 11' ' ' LEU . 87.2 t -47.62 -33.58 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.513 -0.742 . . . . 0.0 110.676 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.745 HD21 HG22 ' C' ' 18' ' ' VAL . 4.5 mm? -84.89 -20.11 31.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.102 -0.999 . . . . 0.0 110.067 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -72.8 -61.38 1.83 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 0.0 109.776 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.0 -26.05 34.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.266 -0.896 . . . . 0.0 109.907 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 51.54 55.36 15.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 110.355 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.425 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 46.8 Cg_endo -71.79 149.21 53.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.684 1.36 . . . . 0.0 110.415 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.57 -40.16 5.97 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.648 1.341 . . . . 0.0 110.218 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -107.65 115.62 30.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 109.952 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.476 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -80.37 -34.27 36.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.195 -0.941 . . . . 0.0 110.35 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -50.11 -65.67 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.214 -0.929 . . . . 0.0 110.239 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -41.39 84.1 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.448 -0.782 . . . . 0.0 109.926 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.425 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 46.8 t80 -60.93 -44.55 97.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 0.0 109.95 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -59.63 -42.79 93.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 0.0 109.954 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.479 HG13 ' OG1' ' A' ' 39' ' ' THR . 91.5 t -69.13 -44.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.329 -0.857 . . . . 0.0 109.987 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.19 -34.27 70.17 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.777 . . . . 0.0 110.022 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 18.1 t80 -75.89 -69.05 0.52 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.106 -0.996 . . . . 0.0 110.713 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 28.0 m-85 -51.31 -45.63 62.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.261 -0.899 . . . . 0.0 110.919 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.425 ' OG1' HG13 ' A' ' 35' ' ' VAL . 35.2 m -51.41 -51.76 52.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.08 -1.012 . . . . 0.0 110.277 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -71.44 -22.19 61.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' B' ' 41' ' ' LEU . 1.5 mt -72.73 -19.79 61.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.302 -0.874 . . . . 0.0 110.435 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -27.19 26.57 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.193 -0.942 . . . . 0.0 110.021 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -84.11 -23.82 30.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.94 59.69 1.2 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -0.924 . . . . 0.0 110.291 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -104.01 42.99 1.12 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.254 -0.904 . . . . 0.0 110.234 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.366 -179.938 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.269 0.557 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.57 -22.74 23.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.099 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.563 HG21 ' HA ' ' A' ' 20' ' ' VAL . 12.6 mt -63.17 -51.63 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 0.0 110.037 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -21.16 48.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.148 -0.97 . . . . 0.0 109.95 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -88.23 -52.49 5.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 0.0 109.63 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.17 71.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.418 -0.801 . . . . 0.0 109.869 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.628 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -78.53 -27.79 46.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 0.0 109.649 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -76.4 -37.06 57.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.32 -0.862 . . . . 0.0 109.868 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -80.99 -46.35 15.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 0.0 110.119 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.512 HG23 ' N ' ' C' ' 11' ' ' VAL . 1.2 tt -52.28 -41.82 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 0.0 109.58 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.635 HG11 HG23 ' A' ' 12' ' ' THR . 70.5 t -63.97 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.468 -0.77 . . . . 0.0 109.311 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.29 -42.4 30.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.387 -0.821 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.97 85.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.94 . . . . 0.0 110.252 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.598 HG22 ' OG1' ' B' ' 19' ' ' THR . 25.6 t -66.48 -28.66 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 0.0 109.932 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.407 HG12 ' O ' ' C' ' 11' ' ' VAL . 29.4 mm -70.88 -24.92 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.123 -0.986 . . . . 0.0 109.785 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' C' ' 20' ' ' ALA . 0.3 OUTLIER -73.58 -27.59 61.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.0 110.325 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.52 -41.64 23.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.745 HG22 HD21 ' B' ' 23' ' ' LEU . 60.9 t -69.93 -15.74 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 0.0 110.551 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.29 -31.77 7.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.03 -1.043 . . . . 0.0 110.339 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' C' ' 16' ' ' GLU . . . -52.69 -36.91 58.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.252 -0.905 . . . . 0.0 110.33 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.48 -13.06 60.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 0.0 110.675 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.02 -63.89 4.32 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.3 47.26 0.16 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.254 -1.145 . . . . 0.0 110.062 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.182 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.297 0.57 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.79 142.01 0.87 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.67 30.82 52.42 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.416 ' N ' HD12 ' A' ' 5' ' ' ILE . 54.2 t-80 -114.9 39.51 2.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -1.163 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 5' ' ' ILE . 5.0 mp -121.18 60.93 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.923 . . . . 0.0 110.187 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.82 -154.08 0.61 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.343 -0.848 . . . . 0.0 110.078 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 7' ' ' ILE . 2.4 pp -55.2 137.75 67.26 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.176 -0.953 . . . . 0.0 110.09 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.99 114.65 3.97 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.606 1.319 . . . . 0.0 110.539 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.25 164.39 35.78 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.474 1.25 . . . . 0.0 110.581 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.01 -24.69 10.56 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.751 -1.339 . . . . 0.0 109.751 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.435 ' HG ' ' CD1' ' A' ' 15' ' ' LEU . 10.4 tp -54.15 -26.37 27.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.218 -1.166 . . . . 0.0 110.4 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.468 HG23 HG11 ' C' ' 11' ' ' VAL . 21.1 m -60.76 -59.76 4.88 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.226 -0.921 . . . . 0.0 110.288 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.44 -30.8 61.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 0.0 110.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.27 -58.57 3.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.166 -0.959 . . . . 0.0 110.528 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 68.9 mt -61.94 -57.38 11.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 0.0 110.639 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.15 -37.42 46.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.088 -1.008 . . . . 0.0 110.239 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.15 96.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.665 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 t80 -72.33 -35.72 68.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.348 -1.089 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.705 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.72 -54.84 32.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.066 -1.022 . . . . 0.0 108.988 179.362 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.36 -46.95 94.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -50.56 -56.26 12.48 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.362 0.601 . . . . 0.0 111.074 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 18' ' ' TYR . 21.3 t -62.4 -24.51 35.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.301 -0.874 . . . . 0.0 110.508 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.774 HD13 HG12 ' C' ' 3' ' ' ILE . 0.2 OUTLIER -89.43 -26.61 20.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.128 -0.982 . . . . 0.0 110.147 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -75.48 -55.8 5.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.292 -0.88 . . . . 0.0 110.128 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.72 -30.42 36.27 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.272 -0.893 . . . . 0.0 109.73 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.85 57.61 14.74 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 110.235 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.6 151.43 58.45 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.525 1.276 . . . . 0.0 110.48 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.79 -36.72 7.63 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.671 1.353 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -111.08 122.71 48.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 0.0 110.189 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -89.24 -33.27 17.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 0.0 110.166 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.3 t -52.54 -61.17 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.25 -0.906 . . . . 0.0 109.92 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.05 -45.73 90.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.541 -0.724 . . . . 0.0 109.978 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 19.2 t80 -57.4 -54.21 49.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 109.612 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -49.22 -35.01 16.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.583 HG13 ' OG1' ' B' ' 39' ' ' THR . 93.7 t -70.79 -53.45 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.288 -0.882 . . . . 0.0 110.119 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -49.71 -46.6 50.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 0.0 110.662 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.462 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 18.2 t80 -55.17 -72.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 0.0 110.201 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 27.5 m-85 -54.46 -41.97 70.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.492 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.471 ' OG1' HG13 ' B' ' 35' ' ' VAL . 26.7 m -53.17 -49.77 65.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.962 . . . . 0.0 109.943 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -31.02 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.848 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -54.73 -36.73 65.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 0.0 110.041 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -44.57 84.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.407 -0.808 . . . . 0.0 110.277 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -70.48 -23.57 62.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.38 -30.44 23.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.166 -0.959 . . . . 0.0 110.112 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.48 42.38 29.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.189 -0.945 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.296 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 37.9 m170 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.238 0.542 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 57.5 mtm -113.5 -80.75 0.59 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 110.243 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.79 158.99 11.16 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.86 42.13 1.3 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -1.189 . . . . 0.0 110.335 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.421 HG22 ' O ' ' B' ' 5' ' ' ILE . 4.0 mp -114.89 82.14 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.0 110.176 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.89 152.76 27.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.751 HG13 HD11 ' A' ' 23' ' ' LEU . 3.7 mp -70.49 135.57 86.3 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.919 . . . . 0.0 109.79 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.49 138.14 31.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.451 1.237 . . . . 0.0 110.545 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.06 157.65 50.58 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.634 1.334 . . . . 0.0 110.43 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.36 -25.9 4.47 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -76.79 -8.58 57.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.281 -1.129 . . . . 0.0 110.541 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.0 m -80.65 -60.15 2.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 0.0 110.583 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.67 -49.72 64.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.363 -0.835 . . . . 0.0 110.769 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.69 -56.97 14.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.24 -0.912 . . . . 0.0 110.704 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 15' ' ' LEU . 2.2 mm? -58.45 -46.17 87.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -0.989 . . . . 0.0 110.603 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -50.08 -44.97 52.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.012 -1.055 . . . . 0.0 110.308 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.65 80.33 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.706 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 14.9 t80 -55.82 -34.38 65.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.336 -1.097 . . . . 0.0 109.75 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -64.84 -42.27 95.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.412 -0.805 . . . . 0.0 110.233 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.37 -21.98 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 0.0 110.388 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.2 mt-10 -89.92 -51.45 5.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.266 -0.896 . . . . 0.0 108.827 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' B' ' 30' ' ' LEU . 41.6 t -48.36 -31.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.756 -0.59 . . . . 0.0 110.121 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.82 HD11 ' HA ' ' C' ' 18' ' ' VAL . 25.5 mt -89.37 -31.56 17.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.264 -0.897 . . . . 0.0 109.964 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.22 -63.02 1.46 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.294 -0.879 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -53.8 -34.83 60.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -0.931 . . . . 0.0 110.122 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.0 OUTLIER 51.93 51.17 9.45 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.452 -0.78 . . . . 0.0 110.403 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.49 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 45.9 Cg_endo -70.82 156.09 61.23 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.596 1.314 . . . . 0.0 110.382 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.26 -50.59 0.4 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.702 1.37 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -110.76 114.49 27.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 0.0 109.982 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' B' ' 22' ' ' VAL . 0.5 OUTLIER -67.48 -32.21 72.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.92 . . . . 0.0 110.263 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.08 -62.93 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.239 -0.913 . . . . 0.0 109.963 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.71 -42.65 89.18 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.565 -0.71 . . . . 0.0 110.045 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.49 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 23.2 t80 -58.69 -52.36 66.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.907 . . . . 0.0 109.733 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.706 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -51.18 -38.83 54.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.471 HG13 ' OG1' ' A' ' 39' ' ' THR . 95.5 t -70.93 -42.03 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.141 -0.975 . . . . 0.0 110.361 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.3 -29.77 70.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.897 . . . . 0.0 110.776 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.463 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 37.4 t80 -72.28 -60.75 2.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.121 -0.987 . . . . 0.0 110.608 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -62.94 -47.73 81.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.135 -0.978 . . . . 0.0 110.58 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.583 ' OG1' HG13 ' A' ' 35' ' ' VAL . 71.9 m -51.91 -45.94 64.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.104 -0.998 . . . . 0.0 110.201 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -68.85 -29.71 68.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -0.941 . . . . 0.0 109.866 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tp -55.66 -39.41 70.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.851 . . . . 0.0 110.218 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -48.64 47.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.302 -0.874 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.34 -45.8 30.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 109.882 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.86 46.63 25.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.422 -0.799 . . . . 0.0 110.461 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.21 131.72 45.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 110.048 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.223 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' C' ' 3' ' ' ILE . 48.3 m-20 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.148 0.499 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 mp 59.81 -81.56 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.489 -0.757 . . . . 0.0 110.607 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.774 HG12 HD13 ' A' ' 23' ' ' LEU . 3.0 mt -47.92 -38.73 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.235 -0.916 . . . . 0.0 110.505 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.94 -19.91 66.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.176 -0.952 . . . . 0.0 110.208 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -97.08 -42.74 7.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 109.706 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -32.76 72.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.249 -0.907 . . . . 0.0 109.651 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.705 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -79.52 -21.01 45.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.258 -0.901 . . . . 0.0 109.675 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -32.02 45.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 0.0 109.574 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -49.54 14.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.197 -0.939 . . . . 0.0 109.955 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.527 HG23 ' N ' ' C' ' 11' ' ' VAL . 0.9 OUTLIER -51.78 -41.5 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.056 -1.027 . . . . 0.0 109.496 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 11' ' ' VAL . . . . . 0.527 ' N ' HG23 ' C' ' 10' ' ' ILE . 76.6 t -66.54 -36.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.435 -0.791 . . . . 0.0 109.093 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -55.92 -40.96 73.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 0.0 109.878 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.26 91.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 0.0 110.057 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 t -64.59 -31.56 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 0.0 109.438 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 81.4 mt -74.27 -27.94 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.214 -0.928 . . . . 0.0 109.777 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -85.17 -21.94 28.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 0.0 110.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -92.0 -36.74 13.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 0.0 110.557 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.82 ' HA ' HD11 ' B' ' 23' ' ' LEU . 4.7 p -52.17 -42.73 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.089 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.466 ' N ' ' CG1' ' C' ' 18' ' ' VAL . 1.5 tptp -84.06 -25.77 29.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.491 -0.755 . . . . 0.0 109.912 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.94 47.41 0.92 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.869 . . . . 0.0 110.044 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.15 -43.14 5.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.388 -0.82 . . . . 0.0 110.188 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.97 -51.36 0.82 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . 54.3 26.02 6.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.196 -1.179 . . . . 0.0 110.167 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.224 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.441 ' O ' ' CD1' ' A' ' 7' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 120.587 0.232 . . . . 0.0 110.437 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.96 128.82 15.42 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.511 1.269 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 -166.93 0.3 Allowed 'Trans proline' 0 C--N 1.314 -1.277 0 O-C-N 123.525 1.277 . . . . 0.0 110.421 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.73 -34.14 5.64 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.19 -17.68 64.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.196 -1.179 . . . . 0.0 110.427 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.486 HG23 ' CG1' ' C' ' 11' ' ' VAL . 89.9 m -72.03 -66.3 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.198 -0.939 . . . . 0.0 110.636 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -54.39 -31.67 55.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.28 -0.887 . . . . 0.0 110.459 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tp -69.12 -55.54 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 0.0 110.438 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD22 HG11 ' C' ' 14' ' ' VAL . 0.9 OUTLIER -58.76 -48.28 81.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.16 -0.962 . . . . 0.0 110.487 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.711 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.0 OUTLIER -51.78 -44.02 63.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.167 -0.958 . . . . 0.0 110.249 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.0 -49.0 64.24 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.63 ' O ' HG23 ' A' ' 22' ' ' VAL . 11.0 t80 -53.92 -35.21 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -1.067 . . . . 0.0 109.677 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.618 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -66.52 -31.32 71.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.361 -0.837 . . . . 0.0 110.251 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.7 -23.91 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 110.848 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 1.6 mt-10 -81.23 -51.82 7.99 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.028 -1.045 . . . . 0.0 109.002 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 18' ' ' TYR . 29.4 t -59.37 -34.69 55.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 121.211 0.529 . . . . 0.0 110.397 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 19' ' ' THR . 4.2 mm? -79.55 -29.58 41.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.959 . . . . 0.0 110.397 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -55.09 6.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.202 -0.936 . . . . 0.0 110.32 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -33.88 41.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -0.913 . . . . 0.0 110.482 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.37 63.55 8.08 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.271 -0.893 . . . . 0.0 110.112 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.56 160.26 50.08 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.65 1.342 . . . . 0.0 110.597 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.61 -42.18 2.7 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.798 1.42 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.77 116.94 27.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.159 -0.963 . . . . 0.0 110.348 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.62 -33.49 62.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.887 . . . . 0.0 109.991 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG12 ' HD2' ' B' ' 42' ' ' ARG . 43.9 t -50.44 -54.81 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.875 . . . . 0.0 109.896 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.34 -46.97 74.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.627 -0.671 . . . . 0.0 110.071 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -56.78 -36.07 69.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 0.0 109.802 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -60.17 -49.0 79.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 0.0 110.042 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG13 ' OG1' ' B' ' 39' ' ' THR . 92.5 t -64.59 -28.21 44.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.282 -0.886 . . . . 0.0 110.039 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -70.48 -49.36 49.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.703 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.01 -70.14 0.2 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -0.813 . . . . 0.0 111.293 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -48.03 -53.04 17.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.244 -0.91 . . . . 0.0 111.351 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.513 ' OG1' HG13 ' B' ' 35' ' ' VAL . 22.3 m -48.9 -41.67 34.34 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.275 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -71.37 -28.14 63.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.0 109.573 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -31.87 66.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 0.0 109.909 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -18.1 60.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.291 -0.881 . . . . 0.0 110.528 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.12 -0.987 . . . . 0.0 110.636 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.13 135.51 23.01 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.664 1.349 . . . . 0.0 110.425 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.82 166.19 28.68 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.561 1.295 . . . . 0.0 110.292 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -37.05 3.85 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.15 -51.46 69.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -1.131 . . . . 0.0 110.167 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -61.73 -47.2 86.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.328 -0.858 . . . . 0.0 110.176 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.33 -35.31 71.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 110.163 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.61 -59.2 3.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.291 -0.881 . . . . 0.0 110.259 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.07 -35.93 65.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.22 -51.94 60.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 109.786 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.32 -41.55 98.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.552 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 32.7 t80 -64.85 -48.55 73.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -1.058 . . . . 0.0 109.652 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -51.35 -38.06 51.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.255 -0.903 . . . . 0.0 110.138 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.59 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.286 -0.884 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 9.9 pt-20 -43.81 -39.32 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.672 -0.643 . . . . 0.0 111.221 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 18' ' ' TYR . 48.2 t -52.76 -43.37 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.938 -1.102 . . . . 0.0 109.773 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' B' ' 23' ' ' LEU . 4.1 mm? -77.41 -46.82 21.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 0.0 110.345 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -50.54 70.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.109 -0.995 . . . . 0.0 110.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -34.92 60.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.18 55.68 16.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.377 -0.827 . . . . 0.0 110.288 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.16 161.75 44.84 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.728 1.383 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.13 -50.92 0.3 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.709 1.373 . . . . 0.0 110.222 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.61 122.14 44.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.895 . . . . 0.0 110.124 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.57 -27.14 58.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 0.0 110.216 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.06 -68.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 0.0 110.312 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' B' ' 36' ' ' GLU . 3.0 t0 -53.58 -42.29 67.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.781 . . . . 0.0 109.835 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -57.42 -53.32 59.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 0.0 109.787 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.552 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -50.88 -39.59 54.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.331 -0.856 . . . . 0.0 110.26 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.513 HG13 ' OG1' ' A' ' 39' ' ' THR . 64.0 t -71.19 -33.16 49.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.253 -0.904 . . . . 0.0 110.116 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 2.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.267 -0.896 . . . . 0.0 110.549 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -77.15 -67.32 0.72 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.132 -0.98 . . . . 0.0 110.465 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.46 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 14.5 m-85 -53.75 -45.52 70.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -0.928 . . . . 0.0 110.527 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' HG13 ' A' ' 35' ' ' VAL . 51.5 m -57.08 -36.98 71.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.13 -0.981 . . . . 0.0 110.15 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttt85 -73.74 -30.16 62.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.931 . . . . 0.0 110.084 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -41.48 81.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 0.0 109.845 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.53 ' HD2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.03 -34.33 29.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 0.0 110.22 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 0.0 109.98 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.247 0.546 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.84 -39.72 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.867 . . . . 0.0 110.094 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.88 -16.86 53.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 110.287 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -94.88 -43.23 8.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 0.0 109.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.84 61.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.357 -0.839 . . . . 0.0 109.877 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.573 ' O ' HG23 ' C' ' 11' ' ' VAL . . . -80.06 -20.39 45.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.246 -0.909 . . . . 0.0 109.683 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -78.53 -34.26 47.31 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.132 -0.98 . . . . 0.0 109.632 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -79.6 -39.99 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.286 -0.884 . . . . 0.0 110.113 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.423 HD13 ' O ' ' C' ' 10' ' ' ILE . 0.3 OUTLIER -55.43 -41.7 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.967 . . . . 0.0 109.181 179.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.711 HG21 ' HG3' ' A' ' 16' ' ' GLN . 89.5 t -64.07 -40.79 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.545 -0.722 . . . . 0.0 109.784 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -29.41 33.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.477 -0.764 . . . . 0.0 110.761 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -46.21 25.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.069 -1.02 . . . . 0.0 110.441 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.553 HG11 HD22 ' A' ' 15' ' ' LEU . 55.6 t -63.46 -45.51 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 110.152 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.531 HG22 ' O ' ' C' ' 11' ' ' VAL . 0.9 OUTLIER -66.62 -27.0 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.167 -0.958 . . . . 0.0 110.344 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.81 -22.07 63.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 110.411 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -101.36 -50.46 3.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -0.902 . . . . 0.0 110.807 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 7' ' ' ILE . 40.5 t . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.162 -0.961 . . . . 0.0 110.725 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.4 mp . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -71.38 112.67 3.4 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.589 1.31 . . . . 0.0 110.772 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.79 174.82 11.21 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.611 1.322 . . . . 0.0 110.332 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.94 -7.93 80.96 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 11' ' ' LEU . 15.5 tp -66.18 -13.0 59.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.862 -1.375 . . . . 0.0 110.731 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 m -79.85 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 0.0 110.511 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -31.0 11.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 0.0 110.618 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -53.9 9.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 0.0 110.351 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.442 HD23 HG21 ' C' ' 14' ' ' VAL . 4.4 mp -66.41 -60.97 2.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 0.0 110.439 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -50.67 -36.67 36.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.171 -0.956 . . . . 0.0 110.335 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -55.84 -42.88 86.95 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.777 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.4 t80 -62.66 -39.15 92.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.471 -1.017 . . . . 0.0 109.762 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.542 HG21 HD12 ' C' ' 10' ' ' ILE . 0.2 OUTLIER -61.64 -33.5 74.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.422 -0.799 . . . . 0.0 110.212 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.027 HG22 HD12 ' C' ' 3' ' ' ILE . 42.9 t -76.25 -22.69 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.837 . . . . 0.0 110.794 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -93.13 -45.72 7.76 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.053 -1.03 . . . . 0.0 109.1 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 18' ' ' TYR . 49.3 t -56.44 -32.28 35.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.679 -0.638 . . . . 0.0 110.347 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.901 HD21 HG13 ' B' ' 7' ' ' ILE . 0.2 OUTLIER -90.31 -33.54 16.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 0.0 110.362 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.79 -57.08 3.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.94 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -30.47 71.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.254 -0.904 . . . . 0.0 110.399 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 52.27 59.64 14.23 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.258 -0.901 . . . . 0.0 110.367 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.66 151.82 64.18 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.594 1.312 . . . . 0.0 110.578 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.87 -36.8 5.7 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.685 1.36 . . . . 0.0 110.22 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.14 115.54 21.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.846 . . . . 0.0 110.103 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.705 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -70.95 -49.34 46.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 0.0 110.148 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -48.59 -60.9 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.303 -0.873 . . . . 0.0 110.084 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.47 -40.22 86.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.596 -0.69 . . . . 0.0 109.705 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -61.13 -48.53 81.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 109.469 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.11 -44.4 83.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG13 ' OG1' ' B' ' 39' ' ' THR . 74.3 t -69.74 -28.32 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.297 -0.877 . . . . 0.0 109.656 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -31.55 34.49 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.294 -0.879 . . . . 0.0 109.518 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -78.02 -64.47 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 0.0 110.082 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.425 ' HB3' HG23 ' B' ' 35' ' ' VAL . 9.2 m-85 -50.36 -43.25 54.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.323 -0.861 . . . . 0.0 110.651 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.567 ' OG1' HG13 ' B' ' 35' ' ' VAL . 19.9 m -58.61 -42.42 88.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.063 -1.023 . . . . 0.0 109.853 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -30.78 71.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 0.0 109.98 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.85 64.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.329 -0.857 . . . . 0.0 110.05 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.59 72.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.302 -0.874 . . . . 0.0 110.058 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.304 -0.872 . . . . 0.0 110.149 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.901 HG13 HD21 ' A' ' 23' ' ' LEU . 4.1 mp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.458 ' HD2' HG23 ' B' ' 7' ' ' ILE . 45.0 Cg_endo -72.16 135.12 24.37 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.701 1.369 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -74.89 -2.22 12.22 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.6 1.316 . . . . 0.0 111.523 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.35 -12.44 83.09 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' B' ' 11' ' ' LEU . 36.1 tp -80.27 -35.93 35.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.007 -1.29 . . . . 0.0 110.265 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -54.48 -66.48 0.39 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -27.44 22.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.395 -0.816 . . . . 0.0 110.353 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -61.01 1.96 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -0.946 . . . . 0.0 110.221 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.95 -53.63 53.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.336 -0.853 . . . . 0.0 110.497 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -43.53 34.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.186 -0.946 . . . . 0.0 110.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . -55.67 -51.62 53.72 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.14 -41.57 65.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -1.119 . . . . 0.0 110.097 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -55.06 -35.56 64.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.842 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -72.94 -25.01 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 0.0 110.383 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 17' ' ' GLY . 7.4 mm-40 -87.7 -52.66 5.19 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.2 -0.938 . . . . 0.0 109.109 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.554 HG13 HD11 ' B' ' 30' ' ' LEU . 79.8 t -47.18 -35.78 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.808 -0.557 . . . . 0.0 110.399 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.828 HD21 HG13 ' C' ' 18' ' ' VAL . 69.8 mt -90.13 -23.52 21.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -87.3 -22.39 25.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.267 -0.895 . . . . 0.0 110.633 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.44 -32.95 10.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 0.0 110.702 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.469 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.2 mm100 53.7 51.57 8.65 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.128 -0.982 . . . . 0.0 110.075 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 45.5 Cg_endo -70.77 155.04 63.37 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.672 1.354 . . . . 0.0 110.621 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -71.55 -35.05 8.52 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.712 1.375 . . . . 0.0 110.144 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -123.62 121.01 34.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.841 . . . . 0.0 109.949 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.554 HD11 HG13 ' B' ' 22' ' ' VAL . 0.3 OUTLIER -74.48 -44.16 52.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 0.0 110.566 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -49.41 -58.64 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.227 -0.921 . . . . 0.0 110.107 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.71 -38.53 81.9 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.59 -0.693 . . . . 0.0 109.776 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -62.28 -49.74 74.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 109.44 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.6 79.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.342 -0.849 . . . . 0.0 109.723 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.567 HG13 ' OG1' ' A' ' 39' ' ' THR . 71.7 t -68.8 -31.49 50.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.276 -0.89 . . . . 0.0 109.656 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.59 -30.14 36.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.44 -0.787 . . . . 0.0 109.349 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -78.8 -61.57 1.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 0.0 110.397 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -54.11 -50.34 67.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 0.0 110.332 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.614 ' OG1' HG13 ' A' ' 35' ' ' VAL . 22.5 m -50.63 -45.66 57.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.209 -0.932 . . . . 0.0 110.029 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -24.18 66.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.13 -0.981 . . . . 0.0 109.987 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.09 -24.12 62.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.293 -0.879 . . . . 0.0 110.415 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -83.59 -24.19 31.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.217 -0.927 . . . . 0.0 110.199 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.264 -0.897 . . . . 0.0 110.31 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.701 HD12 HG23 ' C' ' 3' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 120.898 0.38 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 1.027 HD12 HG22 ' A' ' 20' ' ' VAL . 40.4 pt -50.32 -29.78 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.878 -1.139 . . . . 0.0 110.474 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . 0.435 ' N ' HG13 ' C' ' 3' ' ' ILE . 16.9 tp10 -49.63 -30.4 8.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.349 -0.845 . . . . 0.0 110.935 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.24 -49.15 3.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 0.0 110.312 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.31 65.61 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.253 -0.905 . . . . 0.0 110.416 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' C' ' 10' ' ' ILE . . . -75.78 -29.55 58.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.034 -1.041 . . . . 0.0 109.339 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' C' ' 4' ' ' GLU . 2.8 t -65.97 -37.96 87.33 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.538 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.06 -36.27 81.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 0.0 109.454 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' C' ' 7' ' ' ALA . 56.1 mt -54.23 -38.17 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 0.0 109.204 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.587 ' O ' HG22 ' C' ' 15' ' ' ILE . 91.9 t -66.79 -45.99 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 110.112 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -35.11 69.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 0.0 110.961 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.84 43.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.108 -0.995 . . . . 0.0 110.745 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.442 HG21 HD23 ' A' ' 15' ' ' LEU . 55.2 t -81.03 -39.22 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.007 . . . . 0.0 109.517 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.587 HG22 ' O ' ' C' ' 11' ' ' VAL . 1.3 tt -72.19 -20.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 0.0 109.721 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -87.91 -29.16 21.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.283 -0.885 . . . . 0.0 110.127 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -88.17 -44.04 11.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.326 -0.858 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.828 HG13 HD21 ' B' ' 23' ' ' LEU . 61.0 t . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.889 . . . . 0.0 110.215 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.934 HG21 ' O ' ' C' ' 18' ' ' VAL . 2.2 pp . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.69 129.67 13.84 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.624 1.328 . . . . 0.0 110.383 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.37 159.18 47.2 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 123.465 1.245 . . . . 0.0 110.393 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 117.86 -15.93 12.35 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -30.74 70.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.042 -1.269 . . . . 0.0 110.616 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.3 m -73.12 -35.86 66.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.207 -0.933 . . . . 0.0 110.721 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -80.84 -23.36 39.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.216 -0.928 . . . . 0.0 110.643 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 10' ' ' GLY . 2.2 mt -82.83 -42.15 18.2 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.14 -0.975 . . . . 0.0 110.779 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.432 HD23 HG21 ' C' ' 14' ' ' VAL . 5.5 mp -68.68 -51.22 44.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.201 -0.937 . . . . 0.0 110.938 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.1 mp0 -62.26 -39.69 93.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.072 -1.017 . . . . 0.0 109.616 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.49 -28.71 56.25 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.223 -1.951 . . . . 0.0 108.223 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.733 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 6.6 t80 -82.28 -47.76 12.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.769 -0.842 . . . . 0.0 109.485 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -26.84 40.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.327 -0.858 . . . . 0.0 109.458 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 16' ' ' GLN . 78.8 t -77.81 -76.28 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.529 -0.732 . . . . 0.0 110.808 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 9.6 pt-20 -47.34 -44.83 24.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.285 -0.884 . . . . 0.0 111.17 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG22 ' CE2' ' A' ' 33' ' ' PHE . 89.2 t -54.57 -51.02 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.918 -1.113 . . . . 0.0 109.755 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.467 HD12 HG23 ' C' ' 3' ' ' ILE . 14.0 mt -68.21 -12.53 61.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 0.0 110.402 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -70.04 0.74 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 0.0 110.469 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -27.75 15.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.14 -0.975 . . . . 0.0 110.185 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.16 59.27 16.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.926 . . . . 0.0 110.382 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.75 147.07 49.81 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.703 1.37 . . . . 0.0 110.402 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.3 -21.97 34.86 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 O-C-N 123.698 1.367 . . . . 0.0 110.621 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.58 114.53 18.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.145 -0.972 . . . . 0.0 110.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.59 HD13 ' C ' ' A' ' 30' ' ' LEU . 2.4 tm? -75.35 -51.07 14.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -0.82 . . . . 0.0 109.492 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 31' ' ' VAL . 43.1 t -52.17 -49.4 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 0.0 109.576 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -66.82 -36.31 82.08 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.758 -0.589 . . . . 0.0 109.965 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CE2' HG22 ' A' ' 22' ' ' VAL . 91.3 t80 -65.95 -34.69 78.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 0.0 109.725 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.733 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -68.26 -37.15 80.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 0.0 109.945 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG13 ' OG1' ' B' ' 39' ' ' THR . 78.3 t -70.09 -27.43 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.27 -0.894 . . . . 0.0 110.047 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.52 -34.24 27.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.223 -0.923 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 87.5 t80 -75.27 -60.47 2.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.132 -0.98 . . . . 0.0 110.17 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.617 ' HE1' HD22 ' A' ' 14' ' ' LEU . 6.6 m-85 -55.13 -43.81 74.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 110.271 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HG13 ' B' ' 35' ' ' VAL . 23.6 m -61.64 -36.96 82.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.078 -1.014 . . . . 0.0 109.722 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -28.27 68.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.266 -0.896 . . . . 0.0 109.602 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.49 -34.33 67.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 109.969 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -56.47 -27.31 56.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 0.0 109.731 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 109.928 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' B' ' 8' ' ' PRO . 7.4 mt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' B' ' 7' ' ' ILE . 46.5 Cg_endo -72.72 137.19 26.88 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.65 1.342 . . . . 0.0 110.58 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.61 164.29 34.1 Favored 'Trans proline' 0 C--N 1.312 -1.391 0 O-C-N 123.567 1.298 . . . . 0.0 110.157 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.48 -37.8 3.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -56.25 -49.29 74.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.268 -1.136 . . . . 0.0 110.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.8 m -60.05 -47.24 86.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.105 -0.997 . . . . 0.0 110.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.73 -30.42 68.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' B' ' 14' ' ' LEU . 25.8 tp -69.89 -41.57 74.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.161 -0.962 . . . . 0.0 110.332 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.31 -45.69 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 110.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.683 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -55.73 -36.92 67.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.194 -0.941 . . . . 0.0 109.752 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.49 -48.35 74.43 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 108.996 -1.641 . . . . 0.0 108.996 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.64 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.3 t80 -59.78 -53.46 57.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -1.107 . . . . 0.0 109.83 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.53 HG23 ' CG2' ' C' ' 18' ' ' VAL . 85.0 m -51.14 -36.51 41.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.319 -0.863 . . . . 0.0 110.366 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.683 HG23 ' O ' ' B' ' 16' ' ' GLN . 49.1 t -65.87 -74.93 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.226 -0.921 . . . . 0.0 110.313 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.412 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 7.4 pt-20 -45.4 -38.9 6.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.385 -0.822 . . . . 0.0 110.977 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 18' ' ' TYR . 43.7 t -54.34 -46.42 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 0.0 110.083 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.737 HD21 HG13 ' C' ' 18' ' ' VAL . 2.9 mm? -67.63 -27.04 66.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.089 -1.007 . . . . 0.0 110.256 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.18 -66.88 0.83 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.892 . . . . 0.0 110.194 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.401 ' O ' ' HD3' ' B' ' 27' ' ' PRO . 0.5 OUTLIER -84.91 55.78 3.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.892 . . . . 0.0 110.387 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -36.13 96.31 0.1 Allowed Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 122.037 -0.414 . . . . 0.0 111.782 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' B' ' 25' ' ' GLN . 49.9 Cg_endo -79.75 169.55 18.04 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.897 1.472 . . . . 0.0 110.384 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.38 -35.68 7.96 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.69 1.363 . . . . 0.0 110.02 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -154.69 118.3 4.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -0.839 . . . . 0.0 110.006 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.642 ' H ' HD12 ' B' ' 30' ' ' LEU . 3.6 mp -53.84 -27.6 30.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.881 . . . . 0.0 110.049 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.447 ' O ' HG23 ' B' ' 35' ' ' VAL . 39.3 t -52.68 -50.7 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.487 -0.758 . . . . 0.0 109.72 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.3 -50.11 29.47 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.579 -0.701 . . . . 0.0 109.917 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -54.88 -53.04 60.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 0.0 109.508 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.34 -39.13 21.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.515 -0.741 . . . . 0.0 110.42 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.569 HG13 ' OG1' ' A' ' 39' ' ' THR . 84.5 t -77.4 -32.36 18.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.144 -0.973 . . . . 0.0 109.96 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -25.73 40.09 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 0.0 109.623 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.412 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 65.5 t80 -80.26 -64.2 1.24 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 0.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.402 ' HB3' HG23 ' A' ' 35' ' ' VAL . 20.6 m-85 -54.77 -44.98 74.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.178 -0.951 . . . . 0.0 110.589 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.449 ' OG1' HG13 ' A' ' 35' ' ' VAL . 34.0 m -56.27 -46.49 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.031 -1.043 . . . . 0.0 110.141 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -25.32 65.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.175 -0.953 . . . . 0.0 110.132 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.71 -31.73 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.21 -0.931 . . . . 0.0 110.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -54.37 -27.37 35.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.917 . . . . 0.0 109.95 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 0.0 110.01 179.646 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.46 ' HA ' HD22 ' C' ' 2' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.184 0.516 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.467 HG23 HD12 ' A' ' 23' ' ' LEU . 55.7 mt -70.91 -56.5 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.05 -1.031 . . . . 0.0 109.949 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.61 -16.89 28.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 110.167 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -86.31 -49.27 7.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.202 -0.937 . . . . 0.0 109.551 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . 0.409 ' CB ' HD11 ' B' ' 7' ' ' ILE . . . -65.56 -34.13 77.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.244 -0.91 . . . . 0.0 109.419 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.439 ' O ' ' HB ' ' C' ' 10' ' ' ILE . . . -77.8 -21.74 51.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.298 -0.876 . . . . 0.0 109.267 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -40.16 76.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.107 -0.996 . . . . 0.0 108.9 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -36.8 80.04 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.38 -0.825 . . . . 0.0 109.24 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' C' ' 10' ' ' ILE . 5.5 mm -54.19 -44.67 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.364 -0.835 . . . . 0.0 108.886 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.443 HG23 ' CD ' ' A' ' 16' ' ' GLN . 75.3 t -53.63 -45.04 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.311 -0.868 . . . . 0.0 109.765 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.71 -36.07 81.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 0.0 110.773 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.52 -18.33 41.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 0.0 111.007 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.432 HG21 HD23 ' A' ' 15' ' ' LEU . 75.2 t -91.65 -24.42 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.952 -1.092 . . . . 0.0 109.769 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.3 -24.12 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.292 -0.88 . . . . 0.0 109.43 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -72.46 -20.37 61.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 0.0 110.409 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.94 -31.43 6.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 0.0 110.804 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.934 ' O ' HG21 ' A' ' 7' ' ' ILE . 42.0 t . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.067 -1.021 . . . . 0.0 110.761 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.24 112.78 3.41 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.583 1.307 . . . . 0.0 110.811 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -80.28 178.06 7.53 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.535 1.281 . . . . 0.0 110.137 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 116.48 9.39 11.51 Favored Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.867 -1.158 . . . . 0.0 110.372 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.78 0.86 57.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.942 -1.329 . . . . 0.0 110.685 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.966 HG23 HG11 ' C' ' 11' ' ' VAL . 87.1 m -80.38 -68.6 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.008 -1.057 . . . . 0.0 110.555 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -26.52 10.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -0.83 . . . . 0.0 110.449 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 10' ' ' GLY . 32.7 mt -75.68 -37.08 59.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.873 . . . . 0.0 110.354 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.794 HD21 HD11 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -81.83 -55.91 4.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 0.0 110.513 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -47.26 55.84 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 0.0 110.094 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -56.56 -50.55 62.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.436 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 12.5 t80 -53.03 -43.95 66.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.476 -1.014 . . . . 0.0 109.806 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.64 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -58.59 -33.27 69.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 0.0 110.282 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.39 -27.0 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 110.878 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.8 mt-10 -77.32 -52.68 8.77 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.904 -1.123 . . . . 0.0 109.002 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 18' ' ' TYR . 40.0 t -58.5 -34.38 50.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.764 -0.585 . . . . 0.0 110.265 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 19' ' ' THR . 2.3 mm? -73.04 -36.12 66.87 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 110.522 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.37 -50.17 8.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.17 -0.956 . . . . 0.0 110.349 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -41.04 72.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 0.0 110.346 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 52.31 63.86 8.35 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.361 -0.837 . . . . 0.0 110.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.45 159.69 50.72 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.749 1.394 . . . . 0.0 110.613 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.97 -23.92 24.73 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.704 1.371 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -141.22 114.95 9.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.925 . . . . 0.0 110.141 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.18 -31.53 71.14 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -0.908 . . . . 0.0 110.155 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.97 -60.85 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.136 -0.978 . . . . 0.0 109.865 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.53 -43.57 93.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.649 -0.657 . . . . 0.0 109.964 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 109.928 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.48 -41.32 80.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 109.555 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG13 ' OG1' ' B' ' 39' ' ' THR . 76.1 t -75.88 -36.63 32.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.384 -0.822 . . . . 0.0 109.819 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.11 64.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.23 -0.919 . . . . 0.0 109.657 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -73.15 -64.26 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 0.0 109.959 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.97 -51.72 55.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.236 -0.915 . . . . 0.0 110.293 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.434 ' OG1' HG13 ' B' ' 35' ' ' VAL . 57.1 m -54.59 -36.58 64.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.168 -0.957 . . . . 0.0 109.783 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -70.76 -33.37 70.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.0 109.691 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -23.97 67.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.361 -0.837 . . . . 0.0 109.957 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -66.54 -38.55 87.4 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.408 -0.808 . . . . 0.0 109.715 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.837 . . . . 0.0 110.049 179.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.11 115.44 4.32 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.525 1.276 . . . . 0.0 110.397 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.06 179.15 6.03 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 O-C-N 123.454 1.239 . . . . 0.0 110.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.98 -27.32 16.92 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.08 68.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -1.147 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.6 m -71.56 -33.17 68.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 0.0 110.212 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.74 -63.39 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.949 . . . . 0.0 110.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.25 -29.64 15.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 110.379 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.794 HD11 HD21 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.89 -53.38 11.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.9 . . . . 0.0 110.44 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -49.14 50.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.038 -1.039 . . . . 0.0 110.263 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.1 -47.52 66.81 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.753 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.3 t80 -55.23 -53.48 55.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 0.0 109.69 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.449 ' OG1' HG13 ' C' ' 14' ' ' VAL . 87.9 m -47.73 -43.37 26.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.85 . . . . 0.0 110.53 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.57 -74.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.368 -0.833 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 10.7 pt-20 -45.53 -39.52 7.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.458 -0.776 . . . . 0.0 111.149 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.971 HG13 HD21 ' B' ' 30' ' ' LEU . 63.6 t -52.93 -37.79 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.924 -1.11 . . . . 0.0 109.809 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.815 HD11 ' HA ' ' C' ' 18' ' ' VAL . 5.1 mt -84.0 -50.76 7.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 0.0 110.155 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -65.18 0.71 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -54.48 -36.11 63.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.249 -0.907 . . . . 0.0 110.339 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.406 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.0 tt0 51.92 55.57 15.36 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.937 . . . . 0.0 110.168 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 43.9 Cg_endo -69.97 153.79 67.6 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.698 1.367 . . . . 0.0 110.624 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.8 -37.99 6.04 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.727 1.382 . . . . 0.0 110.413 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -116.58 117.02 28.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.282 -0.886 . . . . 0.0 110.296 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.971 HD21 HG13 ' B' ' 22' ' ' VAL . 0.2 OUTLIER -72.01 -41.44 67.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 0.0 109.66 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.26 -64.85 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 0.0 109.693 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -33.99 61.07 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.563 -0.711 . . . . 0.0 109.795 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.4 -45.99 85.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 0.0 109.515 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.731 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -51.74 -37.36 50.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.416 -0.802 . . . . 0.0 110.245 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.434 HG13 ' OG1' ' A' ' 39' ' ' THR . 99.1 t -70.95 -53.48 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.292 -0.88 . . . . 0.0 110.439 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.44 -49.78 54.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 0.0 110.909 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -59.79 -71.36 0.13 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.095 -1.003 . . . . 0.0 110.512 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.28 -48.21 46.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.298 -0.876 . . . . 0.0 110.827 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' HG13 ' A' ' 35' ' ' VAL . 55.3 m -51.57 -41.6 61.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.063 -1.023 . . . . 0.0 110.055 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.54 -33.43 75.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.179 -0.95 . . . . 0.0 109.897 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.15 -24.6 37.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 0.0 110.051 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -30.59 68.8 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.233 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 C--N 1.304 -1.411 0 O-C-N 121.399 -0.813 . . . . 0.0 109.48 179.723 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.247 0.546 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 30.1 mt -62.69 -42.92 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.235 -0.916 . . . . 0.0 110.202 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.57 -13.19 58.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 110.336 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.88 -47.59 8.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -1.0 . . . . 0.0 109.986 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.06 -28.26 57.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 0.0 109.996 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.64 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -76.58 -35.96 57.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.118 -0.989 . . . . 0.0 109.77 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 20.6 p -69.25 -29.48 67.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 109.636 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -38.76 32.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.329 -0.857 . . . . 0.0 109.874 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.597 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER -54.98 -34.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 0.0 109.222 179.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.966 HG11 HG23 ' A' ' 12' ' ' THR . 94.9 t -72.32 -44.34 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 110.031 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.43 -28.6 20.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.419 -0.801 . . . . 0.0 110.965 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.87 -44.29 18.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.086 -1.009 . . . . 0.0 110.333 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.745 ' O ' HG23 ' C' ' 18' ' ' VAL . 59.4 t -67.11 -33.84 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.0 109.625 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.401 HG23 HD12 ' C' ' 15' ' ' ILE . 33.5 mm -70.09 -39.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.379 -0.826 . . . . 0.0 109.717 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.37 -25.76 65.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.274 -0.891 . . . . 0.0 110.103 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -78.93 -36.57 41.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.194 -0.941 . . . . 0.0 109.971 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.815 ' HA ' HD11 ' B' ' 23' ' ' LEU . 52.9 t . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.931 . . . . 0.0 110.586 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.6 mp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.53 122.81 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.465 1.245 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.25 176.59 9.4 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 123.495 1.26 . . . . 0.0 110.367 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.05 -30.97 5.85 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 11' ' ' LEU . 19.5 tp -61.97 -17.87 58.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.271 -1.135 . . . . 0.0 110.458 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.835 HG23 HG11 ' C' ' 11' ' ' VAL . 13.2 m -71.81 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.165 -0.959 . . . . 0.0 110.53 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -27.51 68.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.356 -0.84 . . . . 0.0 110.711 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.31 -55.61 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.106 -0.996 . . . . 0.0 110.485 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.647 HD22 HD22 ' B' ' 15' ' ' LEU . 54.5 mt -61.13 -43.18 99.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.2 -0.937 . . . . 0.0 110.49 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.558 ' HG3' HG21 ' C' ' 11' ' ' VAL . 1.1 tt0 -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.0 110.044 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.52 -48.78 68.33 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.056 -1.617 . . . . 0.0 109.056 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.727 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 10.0 t80 -55.85 -34.97 65.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -1.082 . . . . 0.0 109.659 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.561 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.35 -30.7 67.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.39 -0.818 . . . . 0.0 109.936 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 96.7 t -75.7 -20.26 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 0.0 110.433 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 1.0 OUTLIER -95.61 -58.65 2.06 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.171 -0.956 . . . . 0.0 109.349 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 30' ' ' LEU . 96.0 t -50.63 -29.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.626 -0.671 . . . . 0.0 110.36 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' HG23 ' C' ' 3' ' ' ILE . 87.3 mt -90.21 -38.73 13.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 0.0 110.334 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -76.69 -51.51 11.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 0.0 110.507 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -73.34 -28.42 62.05 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.183 -0.948 . . . . 0.0 110.066 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.5 58.23 16.28 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 0.0 110.166 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.17 149.31 64.12 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.695 1.366 . . . . 0.0 110.674 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.32 -23.35 24.17 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.778 1.409 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 5.4 p-10 -127.37 125.36 40.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -90.16 -51.01 5.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 0.0 110.216 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.4 t -48.86 -63.36 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.362 -0.837 . . . . 0.0 110.214 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -57.94 -34.5 69.95 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.456 -0.777 . . . . 0.0 109.975 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 51.6 t80 -68.32 -43.91 76.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 0.0 109.582 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.727 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.65 -30.92 65.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 0.0 109.732 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 31' ' ' VAL . 50.3 t -70.74 -50.68 42.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.316 -0.865 . . . . 0.0 109.975 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.9 -39.69 74.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -0.854 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -68.5 -68.07 0.42 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.239 -0.913 . . . . 0.0 110.666 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.11 -48.95 64.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 0.0 110.695 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.414 ' OG1' HG13 ' B' ' 35' ' ' VAL . 56.8 m -50.73 -38.73 49.11 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 110.328 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -36.93 56.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.943 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.66 61.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 0.0 109.688 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.657 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -59.77 -36.63 77.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.32 -0.863 . . . . 0.0 109.724 179.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.444 -0.785 . . . . 0.0 110.057 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.79 116.32 4.51 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.506 1.266 . . . . 0.0 110.259 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.01 -177.34 2.23 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 O-C-N 123.486 1.256 . . . . 0.0 110.605 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.78 -24.82 24.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.06 -44.78 68.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -1.137 . . . . 0.0 110.151 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -57.58 -41.44 81.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 0.0 110.527 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.41 -51.49 51.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.227 -0.921 . . . . 0.0 110.643 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.4 -42.19 81.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.898 . . . . 0.0 110.818 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 15' ' ' LEU . 57.6 mt -69.1 -37.57 78.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.067 -1.021 . . . . 0.0 110.639 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.417 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -56.21 -53.89 51.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.13 -0.981 . . . . 0.0 110.162 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.28 95.65 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.461 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 53.8 t80 -65.08 -50.64 65.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.324 -1.104 . . . . 0.0 109.98 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.524 ' OG1' HG13 ' C' ' 14' ' ' VAL . 45.4 m -51.68 -33.65 34.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 0.0 110.123 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 16' ' ' GLN . 42.1 t -65.77 -70.81 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 0.0 110.044 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' B' ' 37' ' ' TYR . 9.9 pt-20 -45.25 -38.3 5.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 0.0 111.002 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.433 ' N ' ' HG3' ' B' ' 21' ' ' GLU . 42.2 t -54.95 -43.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.048 -1.032 . . . . 0.0 109.624 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.76 HD11 ' HA ' ' C' ' 18' ' ' VAL . 7.3 mt -75.57 -40.29 56.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 0.0 110.066 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -43.06 96.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 110.233 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.06 60.94 0.66 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 0.0 110.264 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -38.05 96.13 0.11 Allowed Pre-proline 0 N--CA 1.502 2.151 0 O-C-N 121.948 -0.47 . . . . 0.0 111.436 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -87.74 157.88 7.58 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.978 1.515 . . . . 0.0 110.517 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.96 -39.78 3.94 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.599 1.315 . . . . 0.0 110.038 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.97 119.82 23.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.867 . . . . 0.0 109.91 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -26.28 59.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 110.352 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.657 HG12 ' HG2' ' A' ' 42' ' ' ARG . 41.3 t -52.17 -60.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.156 -0.965 . . . . 0.0 109.831 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.1 -45.21 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.631 -0.668 . . . . 0.0 110.254 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.51 -50.23 73.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.236 -0.915 . . . . 0.0 109.697 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.461 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -49.94 -36.21 26.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.342 -0.849 . . . . 0.0 110.354 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.414 HG13 ' OG1' ' A' ' 39' ' ' THR . 87.5 t -71.73 -45.73 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.187 -0.946 . . . . 0.0 110.169 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.66 -38.61 85.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 0.0 110.61 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.468 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 52.5 t80 -70.27 -69.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.186 -0.947 . . . . 0.0 110.416 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -49.1 -45.27 43.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.257 -0.902 . . . . 0.0 110.673 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.544 ' OG1' HG13 ' A' ' 35' ' ' VAL . 48.2 m -57.92 -41.79 83.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.88 44.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 110.197 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' B' ' 37' ' ' TYR . 5.0 tp -70.47 -21.69 62.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.51 47.93 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.166 -0.959 . . . . 0.0 109.954 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 0.0 110.632 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.086 0.47 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 23' ' ' LEU . 17.4 mt -72.19 -42.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.029 -1.045 . . . . 0.0 110.182 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.92 -20.53 16.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.933 . . . . 0.0 110.172 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -94.28 -47.33 6.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.732 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.71 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.314 -0.866 . . . . 0.0 109.839 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.634 ' O ' HG22 ' C' ' 10' ' ' ILE . . . -75.49 -31.56 60.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.966 . . . . 0.0 109.305 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 45.6 t -64.88 -28.45 69.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 0.0 109.945 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -78.6 -39.91 36.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.99 . . . . 0.0 110.281 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.634 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER -54.5 -33.44 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 109.501 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.835 HG11 HG23 ' A' ' 12' ' ' THR . 85.7 t -72.48 -43.62 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.56 -0.712 . . . . 0.0 109.982 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' C' ' 15' ' ' ILE . 45.0 t0 -52.74 -34.91 54.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 111.177 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.21 35.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 0.0 110.718 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.524 HG13 ' OG1' ' B' ' 19' ' ' THR . 75.4 t -75.37 -34.44 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 0.0 110.006 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.831 HG22 ' O ' ' C' ' 11' ' ' VAL . 2.6 tp -76.9 -21.08 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.0 110.14 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.26 -20.45 59.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 0.0 110.282 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -102.85 -20.52 14.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 0.0 110.611 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.76 ' HA ' HD11 ' B' ' 23' ' ' LEU . 5.1 p . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 0.0 110.192 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.6 mp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.28 111.75 2.99 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.601 1.316 . . . . 0.0 110.94 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.51 -163.02 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.296 0 O-C-N 123.689 1.363 . . . . 0.0 110.266 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.82 -39.91 2.98 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.84 ' HG ' HD13 ' A' ' 15' ' ' LEU . 12.7 tp -54.23 -25.98 26.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -1.206 . . . . 0.0 110.177 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.628 HG23 HG11 ' C' ' 11' ' ' VAL . 24.2 m -56.68 -62.74 1.52 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.217 -0.927 . . . . 0.0 110.192 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.17 -47.38 81.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.912 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.412 HD21 HG22 ' B' ' 31' ' ' VAL . 0.8 OUTLIER -55.25 -39.64 70.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 110.371 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.84 HD13 ' HG ' ' A' ' 11' ' ' LEU . 3.8 mp -73.95 -56.11 5.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 0.0 110.493 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.1 OUTLIER -52.74 -43.81 66.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 0.0 109.989 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.47 78.52 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.6 t80 -67.26 -49.18 65.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.555 -0.968 . . . . 0.0 109.783 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -51.85 -34.99 43.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 0.0 110.105 179.574 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -70.34 -74.48 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.387 -0.821 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -43.96 -44.14 7.01 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.546 -0.721 . . . . 0.0 111.52 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' TYR . 97.7 t -53.85 -46.04 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.936 -1.103 . . . . 0.0 110.194 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.675 HD11 ' HD2' ' B' ' 8' ' ' PRO . 0.1 OUTLIER -81.13 -17.48 49.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.242 -0.911 . . . . 0.0 110.459 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -88.7 -59.05 2.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 0.0 110.622 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.33 -28.17 61.92 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.19 -0.944 . . . . 0.0 110.146 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 51.65 68.87 2.86 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 0.0 110.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.41 164.7 34.84 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.699 1.368 . . . . 0.0 110.872 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.47 -39.4 5.19 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.804 1.423 . . . . 0.0 110.355 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -134.8 129.09 34.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 0.0 110.13 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.1 -40.3 65.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.153 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -50.65 -63.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 110.06 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.54 -35.16 73.67 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.497 -0.752 . . . . 0.0 110.134 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.18 -46.82 76.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.205 -0.934 . . . . 0.0 109.58 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.608 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.07 -37.68 61.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.804 . . . . 0.0 110.24 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.476 HG13 ' OG1' ' B' ' 39' ' ' THR . 86.8 t -69.38 -51.27 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 0.0 110.198 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.9 -44.65 82.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 110.733 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -62.86 -58.37 7.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.169 -0.957 . . . . 0.0 110.886 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -64.78 -43.88 91.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.184 -0.948 . . . . 0.0 110.973 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.518 ' OG1' HG13 ' B' ' 35' ' ' VAL . 79.7 m -56.37 -24.96 47.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.98 -1.075 . . . . 0.0 110.319 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.81 26.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 0.0 110.525 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -26.84 59.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.209 -0.932 . . . . 0.0 110.257 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' HB2' HG12 ' B' ' 31' ' ' VAL . 23.3 tpt180 -71.15 -25.42 62.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.189 -0.944 . . . . 0.0 109.434 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 110.062 179.761 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.66 HG23 HD11 ' A' ' 23' ' ' LEU . 3.0 mp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.675 ' HD2' HD11 ' A' ' 23' ' ' LEU . 43.2 Cg_endo -68.79 125.08 12.18 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.626 1.329 . . . . 0.0 110.565 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.78 169.98 21.1 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.494 1.26 . . . . 0.0 110.365 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.86 -24.41 26.49 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.02 -35.45 76.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -1.155 . . . . 0.0 110.195 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -71.74 -34.01 69.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -65.25 -61.07 2.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 110.051 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.3 -40.19 58.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 0.0 110.226 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 15' ' ' LEU . 0.7 OUTLIER -61.67 -49.06 78.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 110.191 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CA ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -49.42 -35.6 19.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.167 -0.958 . . . . 0.0 110.111 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.64 99.49 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.58 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.2 t80 -68.46 -54.33 17.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.42 -1.047 . . . . 0.0 109.971 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.674 ' OG1' HG13 ' C' ' 14' ' ' VAL . 38.0 m -47.97 -33.26 7.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.365 -0.834 . . . . 0.0 110.257 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.16 -72.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 0.0 109.726 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.59 -41.05 29.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.239 -0.913 . . . . 0.0 110.624 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 18' ' ' TYR . 64.0 t -56.29 -44.41 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 0.0 109.838 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.35 -30.07 33.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.359 -0.838 . . . . 0.0 110.16 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -61.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 0.0 110.167 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.12 -28.44 61.35 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.34 -0.85 . . . . 0.0 109.696 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 50.53 62.71 11.17 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.45 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.68 162.71 41.56 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.806 1.424 . . . . 0.0 110.61 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.88 -28.61 16.3 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.598 1.315 . . . . 0.0 110.681 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 33.0 p-10 -138.06 138.37 38.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 0.0 110.715 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.791 HD22 HD13 ' A' ' 11' ' ' LEU . 1.1 mt -89.99 -33.32 16.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.258 -0.902 . . . . 0.0 109.946 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.484 ' O ' HG23 ' B' ' 35' ' ' VAL . 35.6 t -52.6 -63.64 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.457 -0.777 . . . . 0.0 109.976 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.4 -42.66 99.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.402 -0.811 . . . . 0.0 109.931 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -59.35 -53.67 55.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.646 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -50.94 -40.69 57.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.394 -0.816 . . . . 0.0 110.354 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.518 HG13 ' OG1' ' A' ' 39' ' ' THR . 94.9 t -66.91 -47.4 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.936 . . . . 0.0 110.062 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.02 -31.17 72.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.146 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -74.39 -58.75 3.09 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.931 . . . . 0.0 110.023 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.39 -50.22 73.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 0.0 110.48 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' HG13 ' A' ' 35' ' ' VAL . 56.5 m -49.52 -44.95 46.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.163 -0.961 . . . . 0.0 110.507 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -64.61 -26.5 68.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.167 -0.958 . . . . 0.0 110.032 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -38.02 80.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.219 -0.925 . . . . 0.0 110.224 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -18.42 59.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 0.0 110.392 -179.86 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.822 0.344 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.642 HG12 HD22 ' A' ' 23' ' ' LEU . 4.1 mt -57.57 -39.65 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.82 -1.175 . . . . 0.0 109.787 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.54 -20.67 21.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.376 -0.828 . . . . 0.0 110.236 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -94.76 -46.77 6.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.0 110.044 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -30.35 68.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.206 -0.934 . . . . 0.0 109.946 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 19' ' ' THR . . . -75.84 -21.38 57.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 109.82 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -42.07 49.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 0.0 109.913 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -67.52 -39.44 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.93 . . . . 0.0 110.068 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.1 OUTLIER -56.11 -45.32 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 0.0 109.403 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.656 HG12 HD11 ' C' ' 15' ' ' ILE . 67.2 t -62.65 -28.43 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.157 -0.965 . . . . 0.0 109.973 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.97 -33.8 76.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 110.437 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . 0.407 ' O ' ' NE2' ' C' ' 17' ' ' GLN . . . -71.68 -40.54 69.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 110.437 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.674 HG13 ' OG1' ' B' ' 19' ' ' THR . 38.9 t -67.44 -36.9 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.958 . . . . 0.0 109.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.656 HD11 HG12 ' C' ' 11' ' ' VAL . 51.9 mt -65.82 -29.47 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 0.0 109.907 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.02 -40.85 78.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.888 . . . . 0.0 110.192 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' C' ' 13' ' ' ALA . 0.0 OUTLIER -62.53 -49.06 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 0.0 110.227 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 7' ' ' ILE . 96.9 t . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 0.0 110.219 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.438 HG12 HG12 ' C' ' 18' ' ' VAL . 3.1 mp . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.28 128.63 13.97 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.532 1.28 . . . . 0.0 110.701 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -79.14 168.83 19.94 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.578 1.304 . . . . 0.0 110.374 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.35 -18.98 46.97 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HG ' HD13 ' A' ' 15' ' ' LEU . 14.4 tp -53.84 -32.78 54.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -1.21 . . . . 0.0 110.463 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 HG11 ' C' ' 11' ' ' VAL . 26.3 m -53.41 -57.56 10.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 0.0 110.292 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.31 -26.14 62.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 0.0 110.337 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.06 -55.94 5.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.332 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.665 ' CD2' HG11 ' C' ' 14' ' ' VAL . 9.5 mp -72.27 -58.09 3.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.465 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.561 ' HG2' ' HB1' ' C' ' 7' ' ' ALA . 0.0 OUTLIER -50.87 -45.71 60.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.147 -0.971 . . . . 0.0 110.213 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -54.83 -38.75 65.49 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.5 t80 -63.86 -26.55 68.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -1.056 . . . . 0.0 109.506 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.598 ' CG2' ' HB2' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -77.56 -28.9 51.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.478 -0.764 . . . . 0.0 110.046 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 43.1 t -78.3 -22.08 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.837 . . . . 0.0 110.697 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -91.63 -53.31 4.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.096 -1.002 . . . . 0.0 109.341 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' TYR . 62.0 t -52.12 -40.25 29.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.488 -0.757 . . . . 0.0 110.368 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.521 HD11 HD12 ' B' ' 7' ' ' ILE . 0.2 OUTLIER -77.9 -38.16 46.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.969 . . . . 0.0 110.042 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.7 OUTLIER -69.24 -23.43 63.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.16 -0.962 . . . . 0.0 110.209 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 1.5 pt20 -142.41 66.06 1.34 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 110.343 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.76 98.09 0.15 Allowed Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.983 -0.448 . . . . 0.0 111.543 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -75.19 164.69 32.53 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.936 1.493 . . . . 0.0 110.442 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.17 -29.4 17.51 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.789 1.415 . . . . 0.0 110.354 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -148.67 123.9 10.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.912 . . . . 0.0 110.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD23 ' HG ' ' B' ' 14' ' ' LEU . 4.2 tp -68.16 -39.45 82.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.0 109.914 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 31' ' ' VAL . 40.3 t -52.52 -61.58 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.251 -0.906 . . . . 0.0 109.959 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -61.77 -35.53 78.4 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 0.0 110.15 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 90.3 t80 -68.28 -37.13 80.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.218 -0.926 . . . . 0.0 109.744 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -61.24 -34.31 74.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.308 -0.87 . . . . 0.0 110.073 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG13 ' OG1' ' B' ' 39' ' ' THR . 96.1 t -75.69 -50.97 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 O-C-N 121.238 -0.914 . . . . 0.0 110.339 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -37.13 65.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.831 . . . . 0.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -74.8 -63.39 1.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.174 -0.954 . . . . 0.0 110.465 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' HB3' ' CG2' ' B' ' 35' ' ' VAL . 3.4 m-85 -54.8 -43.06 72.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 0.0 110.544 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.52 ' OG1' HG13 ' B' ' 35' ' ' VAL . 36.1 m -59.54 -38.76 81.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.996 -1.065 . . . . 0.0 109.758 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.46 -27.54 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 0.0 109.838 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' HB3' HG13 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -69.45 -33.17 72.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 109.889 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' CD ' ' OD1' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -68.13 -30.06 69.12 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.263 -0.898 . . . . 0.0 109.682 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 0.0 109.908 179.725 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.572 ' O ' HG23 ' B' ' 7' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.4 142.67 37.43 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.589 1.31 . . . . 0.0 110.516 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.7 152.14 47.36 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.683 1.359 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.15 -31.14 6.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.52 -37.14 62.52 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -1.176 . . . . 0.0 110.135 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -62.29 -51.07 69.15 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -0.914 . . . . 0.0 110.016 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.57 -43.19 97.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.381 -0.824 . . . . 0.0 109.962 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 14' ' ' LEU . 0.6 OUTLIER -55.57 -52.78 62.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 0.0 110.038 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.15 -40.8 94.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.242 -0.911 . . . . 0.0 110.067 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -43.76 67.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 0.0 109.957 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -56.65 -55.77 28.19 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.94 ' O ' HG23 ' B' ' 22' ' ' VAL . 25.2 t80 -54.93 -43.02 72.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -1.167 . . . . 0.0 110.28 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 13.8 m -57.59 -52.34 65.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.87 . . . . 0.0 110.619 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.72 -23.99 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.188 -0.945 . . . . 0.0 110.356 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.45 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -89.83 -44.3 10.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.091 -1.006 . . . . 0.0 108.98 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.94 HG23 ' O ' ' B' ' 18' ' ' TYR . 45.5 t -53.44 -24.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.782 -0.574 . . . . 0.0 110.19 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.552 HD21 HG22 ' C' ' 18' ' ' VAL . 4.2 mm? -89.77 -49.65 6.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 110.119 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -71.01 0.14 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.891 . . . . 0.0 110.442 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.168 -0.958 . . . . 0.0 110.681 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 54.28 63.25 7.68 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.119 -0.988 . . . . 0.0 109.729 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.66 159.36 51.19 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.592 1.312 . . . . 0.0 110.662 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.19 -26.64 20.89 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.818 1.43 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -147.95 144.28 27.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 0.0 110.198 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 34' ' ' ALA . 0.8 OUTLIER -89.03 -23.76 22.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.254 -0.904 . . . . 0.0 110.287 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.463 ' O ' HG23 ' B' ' 35' ' ' VAL . 40.8 t -53.7 -64.06 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.184 -0.947 . . . . 0.0 110.015 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 42' ' ' ARG . 7.8 t0 -64.33 -48.2 76.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.506 -0.746 . . . . 0.0 109.841 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.418 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 29.4 t80 -54.67 -52.04 63.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.0 109.778 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' B' ' 30' ' ' LEU . . . -50.22 -44.26 53.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.396 -0.815 . . . . 0.0 110.486 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.52 HG13 ' OG1' ' A' ' 39' ' ' THR . 97.0 t -62.78 -38.48 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 121.129 -0.982 . . . . 0.0 110.075 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -71.06 -29.63 65.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 0.0 110.341 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -73.28 -71.33 0.31 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.0 110.457 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.495 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 20.2 m-85 -50.13 -50.09 49.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 0.0 110.611 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.546 ' OG1' HG13 ' A' ' 35' ' ' VAL . 53.4 m -51.67 -35.14 41.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.09 -1.007 . . . . 0.0 109.956 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.91 -43.49 68.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 0.0 109.952 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -39.14 71.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.295 -0.878 . . . . 0.0 110.083 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.424 ' O ' ' NH2' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.02 -51.27 62.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.888 . . . . 0.0 110.169 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.167 -0.958 . . . . 0.0 110.012 179.798 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' C' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.297 0.57 . . . . 0.0 110.169 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.405 ' CG1' HD22 ' A' ' 23' ' ' LEU . 2.7 mp -54.97 -54.98 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -0.949 . . . . 0.0 110.072 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -13.09 58.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 110.418 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . 0.541 ' HB3' HD13 ' C' ' 2' ' ' LEU . 16.9 tt0 -96.46 -42.31 8.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.964 . . . . 0.0 109.734 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . 0.675 ' O ' HD13 ' C' ' 10' ' ' ILE . . . -70.35 -33.14 71.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 0.0 109.582 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.598 ' HB2' ' CG2' ' A' ' 19' ' ' THR . . . -75.11 -24.49 58.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.945 . . . . 0.0 109.42 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -38.51 78.74 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.379 -0.826 . . . . 0.0 109.798 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -69.46 -36.79 76.93 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.153 -0.967 . . . . 0.0 109.668 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.675 HD13 ' O ' ' C' ' 6' ' ' ALA . 1.2 mp -53.61 -44.8 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.281 -0.887 . . . . 0.0 108.75 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.652 ' O ' HG23 ' C' ' 15' ' ' ILE . 98.7 t -59.37 -49.81 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.397 -0.814 . . . . 0.0 109.763 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.54 -31.71 71.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 0.0 110.784 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.01 -21.92 25.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 110.722 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.691 ' O ' HG23 ' C' ' 18' ' ' VAL . 89.8 t -90.58 -27.08 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.025 -1.047 . . . . 0.0 109.635 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.652 HG23 ' O ' ' C' ' 11' ' ' VAL . 2.0 pp -85.66 -24.91 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.295 -0.878 . . . . 0.0 109.762 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.97 -34.99 75.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.45 -41.13 18.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.322 -0.861 . . . . 0.0 109.916 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.691 HG23 ' O ' ' C' ' 14' ' ' VAL . 57.8 t . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 110.058 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.03 112.94 3.68 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.476 1.251 . . . . 0.0 110.752 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -82.35 173.66 10.53 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.549 1.289 . . . . 0.0 110.231 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.68 7.97 61.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.61 -34.08 25.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.902 -1.352 . . . . 0.0 109.946 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.5 m -53.92 -67.81 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -0.851 . . . . 0.0 110.498 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.01 -36.02 37.2 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 0.0 110.668 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.14 -55.55 10.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.086 -1.009 . . . . 0.0 110.421 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -59.0 -53.05 62.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 0.0 110.453 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -28.3 13.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 0.0 110.191 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.37 -49.22 66.86 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.541 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.3 t80 -58.43 -49.64 76.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -1.095 . . . . 0.0 109.809 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.618 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -48.11 -39.37 20.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.331 -0.855 . . . . 0.0 110.447 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.27 -77.26 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 0.0 110.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.48 -44.79 17.87 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.425 -0.797 . . . . 0.0 111.157 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 18' ' ' TYR . 65.3 t -53.2 -35.29 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 0.0 109.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' C' ' 3' ' ' ILE . 1.1 mt -84.61 -25.91 28.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.083 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -60.1 2.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.83 . . . . 0.0 110.214 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.1 -31.69 63.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 110.166 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 50.41 58.68 17.07 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.264 -0.897 . . . . 0.0 110.337 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -71.55 156.47 57.86 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.717 1.377 . . . . 0.0 110.438 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.46 -14.51 30.83 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.652 1.343 . . . . 0.0 110.577 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.73 123.82 4.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 30' ' ' LEU . 4.6 mp -72.97 -29.42 63.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.216 -0.927 . . . . 0.0 109.992 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG12 ' CD ' ' B' ' 42' ' ' ARG . 20.0 t -56.18 -60.26 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.458 -0.776 . . . . 0.0 109.47 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.77 -44.28 86.28 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.476 -0.765 . . . . 0.0 109.532 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 31.5 t80 -57.69 -49.84 75.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.446 -0.784 . . . . 0.0 109.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.01 -38.73 62.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 0.0 109.963 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 31' ' ' VAL . 79.0 t -68.27 -48.51 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.364 -0.835 . . . . 0.0 110.1 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.27 -24.35 67.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.193 -0.942 . . . . 0.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.2 -67.93 0.71 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.147 -0.97 . . . . 0.0 110.218 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -55.43 -47.41 76.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 0.0 110.474 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.47 ' OG1' HG13 ' B' ' 35' ' ' VAL . 91.0 m -53.22 -50.18 65.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 110.212 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -64.57 -20.24 66.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.243 -0.911 . . . . 0.0 110.069 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.24 -47.79 80.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 109.996 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.517 ' HD2' HG11 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -47.77 -27.85 2.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.329 -0.857 . . . . 0.0 110.893 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.2 -0.937 . . . . 0.0 110.355 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.438 ' CG2' ' HD2' ' B' ' 8' ' ' PRO . 42.5 mm . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' B' ' 7' ' ' ILE . 44.5 Cg_endo -71.25 111.38 3.07 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.534 1.281 . . . . 0.0 110.441 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.21 179.41 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.54 1.284 . . . . 0.0 110.352 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.42 3.45 71.27 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.7 tp -87.64 -36.44 17.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.877 -1.366 . . . . 0.0 110.135 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 86.5 m -67.03 -35.57 80.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.231 -0.918 . . . . 0.0 110.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.05 -56.11 11.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 0.0 110.395 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -43.55 77.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 0.0 110.292 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.62 -42.03 92.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.884 . . . . 0.0 110.41 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.66 -36.92 57.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.925 -1.11 . . . . 0.0 109.754 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 21' ' ' GLU . . . -60.53 -53.16 47.78 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.422 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 9.4 t80 -59.6 -40.2 86.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -1.097 . . . . 0.0 110.243 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.838 ' OG1' HG13 ' C' ' 14' ' ' VAL . 90.1 m -49.31 -62.93 1.27 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.224 -0.922 . . . . 0.0 109.544 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.94 -42.4 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' B' ' 37' ' ' TYR . 1.2 tt0 -51.56 -64.87 0.67 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.572 0.701 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.09 -27.97 2.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.62 -0.675 . . . . 0.0 110.844 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.913 HD11 ' HA ' ' C' ' 18' ' ' VAL . 21.1 mt -84.6 -52.67 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.108 -0.995 . . . . 0.0 110.38 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -41.6 84.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 0.0 110.503 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.409 ' HB3' ' HD3' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -85.81 -36.72 19.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 0.0 110.316 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.4 tt0 51.96 54.47 14.26 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 0.0 110.124 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 49.5 Cg_endo -74.39 150.69 41.73 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.761 1.401 . . . . 0.0 110.597 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.81 -32.72 13.73 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.739 1.389 . . . . 0.0 110.329 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -116.56 120.44 38.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 110.131 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.49 -41.04 18.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.365 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.517 HG11 ' HD2' ' A' ' 42' ' ' ARG . 41.0 t -52.19 -66.05 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.242 -0.911 . . . . 0.0 109.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -38.17 71.09 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.396 -0.815 . . . . 0.0 109.702 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.413 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 26.1 t80 -62.76 -50.86 69.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.364 -0.835 . . . . 0.0 109.669 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.76 -37.77 68.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.321 -0.862 . . . . 0.0 110.09 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.47 HG13 ' OG1' ' A' ' 39' ' ' THR . 80.4 t -67.38 -43.47 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.358 -0.839 . . . . 0.0 110.25 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.74 -32.85 73.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 110.673 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 41.1 t80 -75.71 -67.15 0.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.123 -0.985 . . . . 0.0 110.704 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.24 -48.41 62.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.167 -0.958 . . . . 0.0 110.413 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -52.38 -50.33 62.65 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.256 -0.902 . . . . 0.0 110.247 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -63.01 -31.2 72.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 0.0 110.214 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -42.72 67.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 109.939 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.534 ' CD ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -52.0 -37.49 53.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.892 . . . . 0.0 110.366 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 0.0 110.303 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.19 0.519 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.545 ' H ' HD12 ' C' ' 3' ' ' ILE . 3.3 mp -74.43 -36.06 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 110.232 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -15.0 62.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.199 -0.938 . . . . 0.0 110.558 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.75 -41.89 7.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 0.0 109.996 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.05 63.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.28 -0.888 . . . . 0.0 109.788 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.647 ' O ' HG23 ' C' ' 11' ' ' VAL . . . -78.53 -20.0 51.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 109.652 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -35.63 48.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 0.0 110.069 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -82.75 -43.57 16.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 110.08 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.486 HG23 ' N ' ' C' ' 11' ' ' VAL . 12.3 tt -53.29 -42.05 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.1 -1.0 . . . . 0.0 109.603 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.647 HG23 ' O ' ' C' ' 7' ' ' ALA . 87.8 t -64.82 -44.62 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 0.0 109.324 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.54 -42.81 44.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.381 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.4 91.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.246 -0.908 . . . . 0.0 110.108 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.838 HG13 ' OG1' ' B' ' 19' ' ' THR . 40.9 t -71.72 -39.21 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 0.0 109.877 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.447 ' N ' HD12 ' C' ' 15' ' ' ILE . 1.6 mp -75.49 -21.71 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.123 -0.985 . . . . 0.0 109.476 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 0.0 110.022 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -37.88 62.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 0.0 110.17 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.913 ' HA ' HD11 ' B' ' 23' ' ' LEU . 95.2 t . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.373 -0.83 . . . . 0.0 110.076 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.519 HD13 HD21 ' B' ' 23' ' ' LEU . 1.7 tp . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -76.15 122.78 6.83 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.539 1.284 . . . . 0.0 110.089 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.03 169.85 19.52 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.392 1.206 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.04 -26.89 9.51 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -37.17 79.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -1.163 . . . . 0.0 110.387 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.615 HG23 ' CG1' ' C' ' 11' ' ' VAL . 98.1 m -56.31 -55.79 29.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.24 -0.913 . . . . 0.0 110.2 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -47.31 64.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.302 -0.874 . . . . 0.0 110.216 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.12 -50.54 72.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.0 110.126 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.798 HD21 HD12 ' B' ' 15' ' ' LEU . 1.2 mp -62.16 -51.15 68.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.994 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.408 ' HG3' HG21 ' C' ' 11' ' ' VAL . 1.9 tt0 -51.13 -41.91 60.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.246 -0.909 . . . . 0.0 110.188 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -58.04 -52.66 51.05 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.637 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.6 t80 -55.1 -25.36 30.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -1.113 . . . . 0.0 110.059 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.527 ' CG2' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.9 -38.36 73.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 0.0 110.349 -179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 59.4 t -73.91 -17.95 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.12 -0.988 . . . . 0.0 110.602 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 1.2 mt-10 -89.88 -49.12 6.8 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.032 -1.043 . . . . 0.0 108.927 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.716 HG11 HD11 ' B' ' 11' ' ' LEU . 76.3 t -51.97 -33.5 16.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.597 -0.689 . . . . 0.0 110.109 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.756 HD13 HG23 ' C' ' 3' ' ' ILE . 0.3 OUTLIER -87.44 -44.42 11.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -0.901 . . . . 0.0 110.161 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -61.96 -55.49 28.86 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.153 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.44 -34.03 65.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.288 -0.882 . . . . 0.0 110.095 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.409 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 52.2 55.52 14.98 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 0.0 110.182 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 26' ' ' GLN . 44.8 Cg_endo -71.17 152.38 61.86 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.709 1.373 . . . . 0.0 110.446 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.35 -24.14 23.17 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.754 1.397 . . . . 0.0 110.337 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -128.94 122.05 29.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.84 -37.01 30.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.263 -0.898 . . . . 0.0 109.884 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 t -53.56 -64.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.335 -0.853 . . . . 0.0 109.762 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.5 -38.12 71.32 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.504 -0.747 . . . . 0.0 109.946 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.52 -48.79 76.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 109.947 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.14 -30.72 64.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.391 -0.818 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.648 HG13 ' OG1' ' B' ' 39' ' ' THR . 91.2 t -74.78 -36.67 40.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.242 -0.912 . . . . 0.0 110.39 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.48 -31.68 62.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.205 -0.934 . . . . 0.0 110.538 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 24.2 t80 -75.68 -66.71 0.75 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 0.0 110.51 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.54 -47.75 48.83 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.25 -0.906 . . . . 0.0 110.545 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.553 ' OG1' HG13 ' B' ' 35' ' ' VAL . 27.8 m -53.47 -42.44 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.078 -1.014 . . . . 0.0 109.921 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -68.6 -37.73 80.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.179 -0.951 . . . . 0.0 110.006 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.15 -24.8 67.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 0.0 110.158 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -69.94 -25.54 63.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.261 -0.899 . . . . 0.0 109.551 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.352 -0.842 . . . . 0.0 109.83 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.18 129.86 16.74 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.477 1.251 . . . . 0.0 110.335 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.03 174.36 12.11 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.514 1.271 . . . . 0.0 110.536 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.35 -27.49 13.8 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.716 HD11 HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -65.43 -45.18 84.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.222 -1.163 . . . . 0.0 110.291 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.5 m -67.37 -36.07 80.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.18 -0.95 . . . . 0.0 110.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.56 -46.31 89.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.373 -0.829 . . . . 0.0 110.447 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -49.15 66.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 0.0 110.348 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.798 HD12 HD21 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -57.93 -34.2 69.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.194 -0.941 . . . . 0.0 110.334 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -53.68 55.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.076 -1.015 . . . . 0.0 109.961 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.98 55.3 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.102 -1.599 . . . . 0.0 109.102 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.565 ' O ' HG23 ' B' ' 22' ' ' VAL . 40.1 t80 -67.73 -47.49 69.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.988 . . . . 0.0 109.449 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.403 ' OG1' HG13 ' C' ' 14' ' ' VAL . 93.2 m -50.5 -30.76 13.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.809 . . . . 0.0 110.094 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.02 -72.07 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.416 -0.803 . . . . 0.0 109.955 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 9.5 pt-20 -47.32 -35.3 7.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.861 . . . . 0.0 110.746 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 18' ' ' TYR . 41.7 t -56.58 -46.29 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.93 . . . . 0.0 109.846 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.697 HD11 ' O ' ' C' ' 18' ' ' VAL . 6.2 mt -78.68 -22.52 46.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 0.0 110.25 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' B' ' 21' ' ' GLU . 11.4 mmt180 -81.52 -67.21 0.8 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 0.0 110.211 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.415 ' HB3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -54.92 -29.59 56.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.125 -0.984 . . . . 0.0 109.982 179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 51.16 55.52 16.28 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 0.0 110.504 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' B' ' 25' ' ' GLN . 46.9 Cg_endo -73.62 151.25 46.63 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.631 1.332 . . . . 0.0 110.338 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.01 -46.63 1.06 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.666 1.35 . . . . 0.0 109.913 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' B' ' 29' ' ' ASP . 30.6 p-10 -111.94 119.13 37.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.403 -0.81 . . . . 0.0 109.842 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -33.28 64.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.264 -0.898 . . . . 0.0 110.598 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.461 ' O ' HG23 ' B' ' 35' ' ' VAL . 46.6 t -50.67 -65.93 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 0.0 110.112 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.4 ' HB2' ' OD2' ' B' ' 29' ' ' ASP . 8.0 t0 -53.78 -39.38 65.37 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.538 -0.726 . . . . 0.0 110.014 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.403 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 20.6 t80 -61.33 -55.34 32.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.237 -0.914 . . . . 0.0 109.599 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.503 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -52.71 -34.19 51.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.803 . . . . 0.0 110.169 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.553 HG13 ' OG1' ' A' ' 39' ' ' THR . 97.8 t -73.17 -39.95 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.213 -0.929 . . . . 0.0 110.393 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -70.16 -37.89 75.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.198 -0.939 . . . . 0.0 110.54 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -70.37 -66.85 0.55 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.214 -0.929 . . . . 0.0 110.492 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -49.09 -47.58 45.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.87 . . . . 0.0 110.708 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.648 ' OG1' HG13 ' A' ' 35' ' ' VAL . 27.1 m -56.31 -38.88 71.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -31.24 51.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.938 . . . . 0.0 110.251 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.03 83.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 0.0 110.237 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -20.91 63.84 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.204 -0.935 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 110.401 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.221 0.534 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.756 HG23 HD13 ' A' ' 23' ' ' LEU . 35.0 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.0 109.887 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.88 -23.06 6.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 110.166 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.32 -55.12 3.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.713 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.89 81.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.265 -0.897 . . . . 0.0 109.698 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.628 ' O ' HG22 ' C' ' 10' ' ' ILE . . . -68.17 -43.46 78.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -0.921 . . . . 0.0 109.269 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 27.2 t -53.53 -29.2 35.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.818 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.18 73.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.204 -0.935 . . . . 0.0 110.254 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.628 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.6 OUTLIER -52.95 -34.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.116 -0.99 . . . . 0.0 109.765 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.615 ' CG1' HG23 ' A' ' 12' ' ' THR . 93.9 t -69.47 -38.55 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.772 . . . . 0.0 109.736 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.3 -39.59 93.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.564 -0.71 . . . . 0.0 110.733 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.25 -23.1 38.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.943 . . . . 0.0 110.737 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 15' ' ' LEU . 69.6 t -89.77 -25.31 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.023 -1.048 . . . . 0.0 109.622 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.599 HG22 ' O ' ' C' ' 11' ' ' VAL . 5.0 tt -85.28 -20.42 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.42 -0.8 . . . . 0.0 109.913 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -70.51 -23.66 62.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -101.92 -43.43 5.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.275 -0.891 . . . . 0.0 110.892 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.697 ' O ' HD11 ' B' ' 23' ' ' LEU . 5.8 p . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.095 -1.003 . . . . 0.0 110.558 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.618 HG23 HG12 ' C' ' 18' ' ' VAL . 4.2 mp . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.45 112.06 3.37 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.378 1.199 . . . . 0.0 110.688 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -75.38 171.92 17.32 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.566 1.298 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.57 -2.85 85.01 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.904 -1.141 . . . . 0.0 110.305 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.67 -20.11 57.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.361 . . . . 0.0 110.414 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.587 HG23 HG11 ' C' ' 11' ' ' VAL . 27.3 m -73.46 -62.51 1.46 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 0.0 110.251 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.72 -22.76 9.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 0.0 110.384 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.95 -57.46 3.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.142 -0.974 . . . . 0.0 110.19 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.94 -55.51 34.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 0.0 110.008 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.473 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.0 OUTLIER -51.28 -44.26 61.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.877 . . . . 0.0 109.962 179.647 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -57.38 -48.05 83.44 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.5 t80 -58.73 -27.02 64.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.48 -1.012 . . . . 0.0 110.232 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.578 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -69.7 -39.28 76.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 110.163 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.51 -26.63 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.071 -1.018 . . . . 0.0 110.511 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -77.92 -54.32 6.44 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.135 -0.978 . . . . 0.0 108.702 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.884 HG11 HD21 ' A' ' 30' ' ' LEU . 81.8 t -50.08 -33.11 9.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 121.338 0.59 . . . . 0.0 109.947 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' B' ' 7' ' ' ILE . 3.0 mm? -81.56 -36.49 29.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 0.0 109.814 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -68.54 0.42 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.389 -0.819 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -56.82 -30.48 63.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 110.64 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.59 59.36 15.4 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 110.076 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.93 164.62 35.05 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.592 1.311 . . . . 0.0 110.723 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.24 -20.74 32.19 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.777 1.409 . . . . 0.0 110.257 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -162.24 145.93 11.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.381 -0.824 . . . . 0.0 110.105 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.884 HD21 HG11 ' A' ' 22' ' ' VAL . 6.3 mp -85.89 -22.15 27.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.226 -0.921 . . . . 0.0 109.95 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.608 HG12 ' HG2' ' B' ' 42' ' ' ARG . 22.0 t -56.38 -58.47 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 0.0 109.719 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.27 -45.16 73.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.537 -0.727 . . . . 0.0 109.999 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.44 -49.13 79.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.0 109.627 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 30' ' ' LEU . . . -56.68 -40.98 76.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 0.0 109.856 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 31' ' ' VAL . 69.9 t -71.41 -28.38 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.338 -0.851 . . . . 0.0 109.819 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -28.37 22.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.296 -0.877 . . . . 0.0 109.382 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 41.3 t80 -80.41 -52.69 7.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.275 -0.891 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -66.12 -43.49 87.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 0.0 110.648 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.519 ' OG1' HG13 ' B' ' 35' ' ' VAL . 24.0 m -57.81 -44.51 86.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.114 -0.991 . . . . 0.0 109.78 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -63.67 -26.58 68.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 0.0 109.86 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -38.68 81.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 0.0 109.826 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -23.28 66.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 0.0 110.173 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 110.574 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.499 ' HA ' HD11 ' A' ' 23' ' ' LEU . 4.1 mp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.66 133.56 20.6 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.621 1.327 . . . . 0.0 110.375 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.19 -178.14 3.07 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 123.559 1.294 . . . . 0.0 110.506 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.89 1.04 90.6 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 30' ' ' LEU . 2.1 tp -87.94 -41.8 12.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.864 -1.374 . . . . 0.0 110.325 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 m -62.13 -54.8 36.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 0.0 110.407 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.39 -53.42 56.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -52.14 64.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 0.0 110.498 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.461 HD11 ' HG ' ' B' ' 11' ' ' LEU . 96.0 mt -61.22 -44.39 97.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.247 -0.908 . . . . 0.0 110.455 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.09 -45.94 61.64 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.12 -0.987 . . . . 0.0 110.416 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.38 -45.27 84.05 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.407 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 5.8 t80 -65.14 -38.22 89.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -1.15 . . . . 0.0 110.145 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.0 m -50.96 -57.31 8.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.081 -1.012 . . . . 0.0 109.24 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.95 -47.11 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 18' ' ' TYR . 0.1 OUTLIER -49.0 -65.72 0.52 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.495 0.664 . . . . 0.0 110.874 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.06 -40.36 45.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.449 -0.782 . . . . 0.0 110.332 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.617 HD13 ' HA ' ' C' ' 18' ' ' VAL . 14.6 tp -72.04 -11.08 60.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.143 -0.973 . . . . 0.0 110.682 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 -58.54 1.91 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 0.0 110.323 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.28 -37.03 74.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.358 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.37 56.14 15.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 0.0 110.013 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.449 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 45.2 Cg_endo -71.14 162.15 43.54 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.65 1.342 . . . . 0.0 110.822 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.85 -37.24 5.25 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.757 1.399 . . . . 0.0 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -120.45 120.94 37.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.294 -0.879 . . . . 0.0 110.165 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.95 -33.4 57.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.259 -0.9 . . . . 0.0 109.97 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.577 ' O ' HG23 ' B' ' 35' ' ' VAL . 33.9 t -54.64 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.68 -35.06 68.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.403 -0.811 . . . . 0.0 109.861 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.449 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 29.7 t80 -66.79 -50.83 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 0.0 109.632 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 -29.96 58.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.894 . . . . 0.0 109.774 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 31' ' ' VAL . 97.7 t -73.18 -54.71 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.327 -0.858 . . . . 0.0 110.14 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.65 -36.53 56.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.192 -0.943 . . . . 0.0 110.511 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -67.37 -74.73 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 0.0 110.718 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -53.05 -42.62 65.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 110.765 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.423 ' OG1' HG13 ' A' ' 35' ' ' VAL . 45.1 m -52.58 -52.67 54.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.963 -1.086 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -30.26 69.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.51 -20.48 64.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.608 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -78.39 -22.83 47.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.134 -0.979 . . . . 0.0 110.295 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 0.0 110.424 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.113 0.483 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 mt -80.15 -51.12 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.1 -1.0 . . . . 0.0 110.47 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.96 -20.33 15.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.169 -0.957 . . . . 0.0 110.121 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.36 -42.75 12.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 0.0 109.568 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.2 -27.95 61.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.792 . . . . 0.0 109.994 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.578 ' HB1' ' HB ' ' A' ' 19' ' ' THR . . . -80.33 -21.45 42.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 109.953 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.9 p -80.12 -34.17 38.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.134 -0.979 . . . . 0.0 109.873 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -47.93 29.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 0.0 110.207 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.502 HG23 ' N ' ' C' ' 11' ' ' VAL . 0.7 OUTLIER -53.72 -42.55 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 109.421 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.587 HG11 HG23 ' A' ' 12' ' ' THR . 53.0 t -64.86 -27.08 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.07 -34.07 76.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -41.05 62.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 0.0 110.595 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.607 ' O ' HG23 ' C' ' 18' ' ' VAL . 35.0 t -66.68 -45.48 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.046 -1.034 . . . . 0.0 109.728 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.461 HG22 ' O ' ' C' ' 11' ' ' VAL . 8.7 tp -66.64 -19.8 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.025 . . . . 0.0 110.19 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.02 -31.31 44.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -44.46 12.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.89 . . . . 0.0 110.264 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 7' ' ' ILE . 62.1 t . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.307 -0.871 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.626 HG23 HG12 ' C' ' 18' ' ' VAL . 4.5 mp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 116.04 4.53 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.463 1.243 . . . . 0.0 110.269 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.54 176.72 8.36 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.516 1.272 . . . . 0.0 110.682 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.15 1.46 81.78 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD11 HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -80.59 -6.62 58.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.861 -1.376 . . . . 0.0 110.631 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 m -74.69 -65.52 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.022 -1.049 . . . . 0.0 110.44 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -40.13 57.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.323 -0.861 . . . . 0.0 110.526 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 14' ' ' LEU . 89.2 mt -59.52 -61.66 2.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 0.0 110.409 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.891 ' CD1' HD22 ' B' ' 15' ' ' LEU . 2.8 mm? -59.04 -67.38 0.38 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.217 -0.927 . . . . 0.0 110.588 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.522 ' OE1' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -49.08 -37.44 21.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.187 -0.946 . . . . 0.0 110.463 -179.755 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.89 57.31 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 7.5 t80 -73.7 -47.27 40.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.553 -0.969 . . . . 0.0 109.57 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.858 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.59 -29.2 36.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 0.0 109.802 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.522 HG23 ' OE1' ' A' ' 16' ' ' GLN . 78.7 t -76.21 -77.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.357 -0.839 . . . . 0.0 110.582 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 9.5 pt-20 -47.22 -43.18 21.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 0.0 111.159 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.585 HG11 HD11 ' A' ' 30' ' ' LEU . 95.3 t -57.94 -39.23 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 0.0 110.06 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' C' ' 3' ' ' ILE . 9.0 mt -84.27 -58.78 2.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.133 -0.979 . . . . 0.0 110.384 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.82 -57.86 10.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 0.0 110.313 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -90.61 59.73 4.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.938 . . . . 0.0 110.096 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -36.55 97.35 0.13 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.918 -0.489 . . . . 0.0 111.712 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -75.76 164.13 32.48 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.942 1.496 . . . . 0.0 110.404 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.64 -44.5 1.45 Allowed 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.599 1.315 . . . . 0.0 110.062 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.56 122.25 23.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.476 -0.765 . . . . 0.0 109.835 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.9 -43.83 91.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 0.0 109.893 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' H ' HG23 ' A' ' 31' ' ' VAL . 40.4 t -54.27 -59.61 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.322 -0.861 . . . . 0.0 109.566 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.68 -38.39 84.81 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.553 -0.717 . . . . 0.0 109.845 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.74 -39.44 94.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 109.641 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -61.68 -40.68 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.391 -0.818 . . . . 0.0 109.848 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG13 ' OG1' ' B' ' 39' ' ' THR . 87.5 t -74.98 -37.47 41.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.25 -26.2 61.02 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.292 -0.88 . . . . 0.0 109.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 34.1 t80 -78.69 -66.43 0.86 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 0.0 110.465 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' HB3' HG23 ' B' ' 35' ' ' VAL . 27.8 m-85 -54.94 -48.85 72.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 110.564 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HG13 ' B' ' 35' ' ' VAL . 52.1 m -52.43 -46.86 66.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.947 -1.096 . . . . 0.0 109.902 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -28.94 67.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 0.0 109.855 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.27 -41.45 84.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 0.0 109.83 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -44.68 54.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.117 -0.99 . . . . 0.0 110.141 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.334 -0.854 . . . . 0.0 110.454 179.822 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 mm . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.416 ' HD2' HD21 ' A' ' 23' ' ' LEU . 47.1 Cg_endo -72.71 119.2 5.95 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.424 1.223 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.06 164.35 35.74 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.402 1.212 . . . . 0.0 110.385 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.59 76.08 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -87.71 -38.71 15.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.186 -1.184 . . . . 0.0 110.055 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -71.35 -36.77 71.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 0.0 109.955 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.34 -50.94 71.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.33 -0.856 . . . . 0.0 109.982 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.46 -43.23 71.5 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 0.0 109.964 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.891 HD22 ' CD1' ' A' ' 15' ' ' LEU . 37.3 mt -71.69 -40.32 69.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 110.027 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -45.02 73.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.0 109.734 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -57.15 -51.73 55.7 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.705 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.8 t80 -55.15 -31.58 61.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -1.154 . . . . 0.0 110.084 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.0 m -68.43 -43.93 76.04 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.859 . . . . 0.0 110.43 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.26 -19.89 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.218 -0.927 . . . . 0.0 110.562 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.455 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.4 mt-10 -89.98 -48.92 6.9 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.145 -0.972 . . . . 0.0 108.992 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 18' ' ' TYR . 97.5 t -52.59 -25.31 7.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.711 -0.618 . . . . 0.0 110.023 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -90.15 -36.9 14.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.294 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -57.5 3.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 0.0 110.386 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -62.73 -39.93 95.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 0.0 110.557 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 54.27 54.62 11.4 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.284 -0.885 . . . . 0.0 109.997 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 47.6 Cg_endo -71.36 156.32 58.84 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.731 1.385 . . . . 0.0 110.62 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.15 -37.89 5.52 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.712 1.375 . . . . 0.0 110.22 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.71 130.9 55.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 0.0 110.011 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.423 HD13 HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -86.79 -39.12 16.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.317 -0.865 . . . . 0.0 110.324 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -49.5 -67.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 0.0 110.25 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -55.23 -42.4 73.35 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.419 -0.801 . . . . 0.0 109.7 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -57.53 -51.97 67.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.874 . . . . 0.0 109.684 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -48.92 -34.96 13.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.396 -0.815 . . . . 0.0 110.503 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.569 HG13 ' OG1' ' A' ' 39' ' ' THR . 88.5 t -70.96 -51.41 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.128 -0.982 . . . . 0.0 109.965 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.28 -30.32 59.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.347 -0.846 . . . . 0.0 110.166 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.455 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 29.8 t80 -74.75 -73.48 0.24 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 0.0 110.378 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 35' ' ' VAL . 15.2 m-85 -49.48 -42.36 43.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.213 -0.929 . . . . 0.0 110.536 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' HG13 ' A' ' 35' ' ' VAL . 53.4 m -53.67 -43.55 68.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.205 -0.935 . . . . 0.0 109.962 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -27.76 69.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 0.0 110.099 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -25.33 63.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 110.072 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -18.73 62.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' B' ' 43' ' ' GLU . 4.4 tp10 . . . . . 0 C--N 1.306 -1.302 0 O-C-N 121.215 -0.928 . . . . 0.0 109.715 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.329 0.585 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.514 HG23 ' CD1' ' A' ' 23' ' ' LEU . 8.6 mt -59.8 -49.35 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.377 -0.827 . . . . 0.0 110.278 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -57.57 -19.51 26.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.315 -0.865 . . . . 0.0 110.396 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.52 -50.88 5.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 0.0 109.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.98 77.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 0.0 109.783 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.858 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -72.49 -22.99 60.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.173 -0.954 . . . . 0.0 109.444 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -67.91 -45.71 73.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.314 -0.866 . . . . 0.0 109.642 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -62.13 -36.21 81.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' C' ' 10' ' ' ILE . 12.6 mm -53.73 -42.86 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 0.0 109.275 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.456 HG21 ' HG3' ' A' ' 16' ' ' GLN . 98.3 t -66.14 -45.39 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 0.0 110.017 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -61.54 -29.09 69.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.313 -0.867 . . . . 0.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.68 -26.37 34.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.0 110.452 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.569 ' O ' HG23 ' C' ' 18' ' ' VAL . 69.9 t -87.57 -26.53 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.145 -0.972 . . . . 0.0 109.723 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.47 -23.96 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 0.0 109.704 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.64 -33.31 75.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.221 -0.925 . . . . 0.0 110.212 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -40.75 15.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 0.0 110.107 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.626 HG12 HG23 ' A' ' 7' ' ' ILE . 58.6 t . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.835 . . . . 0.0 110.58 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.704 ' N ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.47 113.77 3.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.772 1.407 . . . . 0.0 110.367 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.92 -172.97 1.39 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.496 1.261 . . . . 0.0 110.186 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.1 13.35 60.6 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.634 HD22 HD11 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -89.61 -29.69 18.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.259 . . . . 0.0 109.968 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.635 HG23 HG11 ' C' ' 11' ' ' VAL . 94.1 m -62.16 -60.32 3.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.27 -25.77 49.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.273 -0.892 . . . . 0.0 110.023 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' B' ' 30' ' ' LEU . 1.1 tp -78.9 -51.06 10.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 0.0 110.188 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 11' ' ' LEU . 82.0 mt -68.05 -55.3 13.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.402 ' HG2' ' HB1' ' C' ' 7' ' ' ALA . 1.0 OUTLIER -49.71 -45.25 48.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.1 -1.0 . . . . 0.0 110.197 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -54.0 -42.35 70.62 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HH ' ' HD2' ' A' ' 33' ' ' PHE . 5.3 t80 -61.76 -32.8 73.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.381 -1.07 . . . . 0.0 109.923 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.628 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -66.3 -31.33 72.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.312 -0.868 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.563 ' HA ' HG21 ' C' ' 3' ' ' ILE . 60.7 t -79.63 -21.66 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 0.0 110.504 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -91.46 -48.95 6.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.113 -0.992 . . . . 0.0 109.157 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.668 HG13 HD21 ' A' ' 30' ' ' LEU . 92.9 t -57.42 -32.27 40.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.624 -0.672 . . . . 0.0 110.417 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' C' ' 3' ' ' ILE . 4.0 mt -86.14 -33.96 20.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -78.52 -71.8 0.41 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.246 -0.909 . . . . 0.0 110.325 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.58 -34.19 24.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.329 -0.857 . . . . 0.0 110.475 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 52.39 56.35 15.2 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.87 . . . . 0.0 110.206 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.31 151.76 66.13 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.633 1.333 . . . . 0.0 110.423 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.03 -30.57 16.24 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.685 1.361 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.9 p30 -115.38 130.87 57.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.356 -0.84 . . . . 0.0 110.205 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.668 HD21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -90.42 -49.37 6.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.222 -0.923 . . . . 0.0 110.108 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.5 -62.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.265 -0.897 . . . . 0.0 109.894 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -54.55 -34.61 62.12 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.606 -0.684 . . . . 0.0 109.865 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' HD2' ' HH ' ' A' ' 18' ' ' TYR . 56.1 t80 -65.78 -46.82 77.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.918 . . . . 0.0 109.66 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.09 -33.76 58.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.348 -0.845 . . . . 0.0 109.999 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG13 ' OG1' ' B' ' 39' ' ' THR . 93.1 t -72.07 -54.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.313 -0.867 . . . . 0.0 110.159 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.01 -36.86 63.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 0.0 110.539 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 5.9 t80 -65.93 -76.96 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.262 -0.899 . . . . 0.0 110.459 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.408 ' HB3' HG23 ' B' ' 35' ' ' VAL . 34.1 m-85 -48.76 -47.9 41.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 0.0 110.908 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.479 ' OG1' HG13 ' B' ' 35' ' ' VAL . 67.4 m -50.43 -32.45 17.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.171 -0.956 . . . . 0.0 110.666 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.67 21.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 0.0 109.974 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -56.09 -21.99 25.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.338 -0.851 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -27.4 60.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.179 -0.95 . . . . 0.0 109.871 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 110.523 179.836 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -72.23 136.44 26.75 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.534 1.281 . . . . 0.0 110.532 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.99 160.76 39.81 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.64 1.337 . . . . 0.0 110.493 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.1 -21.21 41.29 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.486 HD13 HG11 ' A' ' 22' ' ' VAL . 3.6 tp -71.6 -50.4 31.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.221 -1.164 . . . . 0.0 110.433 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.8 m -54.6 -63.03 1.28 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 0.0 110.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.38 -52.99 40.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.23 -35.95 65.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.521 HD11 HD22 ' A' ' 15' ' ' LEU . 1.6 mm? -74.74 -51.66 13.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -39.48 58.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.124 -0.985 . . . . 0.0 110.169 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.55 66.48 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.416 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 8.1 t80 -62.07 -39.72 93.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.308 -1.113 . . . . 0.0 110.111 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.598 ' OG1' HG22 ' C' ' 14' ' ' VAL . 54.1 m -50.61 -61.33 2.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.044 -1.035 . . . . 0.0 109.316 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.11 -41.05 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 0.1 OUTLIER -53.45 -63.97 0.97 Allowed 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.316 0.579 . . . . 0.0 111.088 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 11' ' ' LEU . 87.2 t -47.62 -33.58 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.513 -0.742 . . . . 0.0 110.676 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.745 HD21 HG22 ' C' ' 18' ' ' VAL . 4.5 mm? -84.89 -20.11 31.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.102 -0.999 . . . . 0.0 110.067 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -72.8 -61.38 1.83 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 0.0 109.776 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.0 -26.05 34.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.266 -0.896 . . . . 0.0 109.907 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 51.54 55.36 15.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 110.355 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.425 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 46.8 Cg_endo -71.79 149.21 53.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.684 1.36 . . . . 0.0 110.415 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.57 -40.16 5.97 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.648 1.341 . . . . 0.0 110.218 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -107.65 115.62 30.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 109.952 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.476 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -80.37 -34.27 36.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.195 -0.941 . . . . 0.0 110.35 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -50.11 -65.67 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.214 -0.929 . . . . 0.0 110.239 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -41.39 84.1 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.448 -0.782 . . . . 0.0 109.926 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.425 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 46.8 t80 -60.93 -44.55 97.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 0.0 109.95 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -59.63 -42.79 93.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 0.0 109.954 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.479 HG13 ' OG1' ' A' ' 39' ' ' THR . 91.5 t -69.13 -44.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.329 -0.857 . . . . 0.0 109.987 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.19 -34.27 70.17 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.777 . . . . 0.0 110.022 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 18.1 t80 -75.89 -69.05 0.52 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.106 -0.996 . . . . 0.0 110.713 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 28.0 m-85 -51.31 -45.63 62.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.261 -0.899 . . . . 0.0 110.919 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.425 ' OG1' HG13 ' A' ' 35' ' ' VAL . 35.2 m -51.41 -51.76 52.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.08 -1.012 . . . . 0.0 110.277 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -71.44 -22.19 61.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' B' ' 41' ' ' LEU . 1.5 mt -72.73 -19.79 61.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.302 -0.874 . . . . 0.0 110.435 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -27.19 26.57 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.193 -0.942 . . . . 0.0 110.021 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 0.0 110.213 179.925 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.21 0.529 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.563 HG21 ' HA ' ' A' ' 20' ' ' VAL . 12.6 mt -63.17 -51.63 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 0.0 110.037 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -21.16 48.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.148 -0.97 . . . . 0.0 109.95 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -88.23 -52.49 5.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 0.0 109.63 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.17 71.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.418 -0.801 . . . . 0.0 109.869 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.628 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -78.53 -27.79 46.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 0.0 109.649 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -76.4 -37.06 57.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.32 -0.862 . . . . 0.0 109.868 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -80.99 -46.35 15.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 0.0 110.119 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.512 HG23 ' N ' ' C' ' 11' ' ' VAL . 1.2 tt -52.28 -41.82 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 0.0 109.58 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.635 HG11 HG23 ' A' ' 12' ' ' THR . 70.5 t -63.97 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.468 -0.77 . . . . 0.0 109.311 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.29 -42.4 30.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.387 -0.821 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.97 85.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.94 . . . . 0.0 110.252 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.598 HG22 ' OG1' ' B' ' 19' ' ' THR . 25.6 t -66.48 -28.66 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 0.0 109.932 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.407 HG12 ' O ' ' C' ' 11' ' ' VAL . 29.4 mm -70.88 -24.92 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.123 -0.986 . . . . 0.0 109.785 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -27.59 61.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.0 110.325 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.52 -41.64 23.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.745 HG22 HD21 ' B' ' 23' ' ' LEU . 60.9 t . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 0.0 110.551 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 7' ' ' ILE . 2.4 pp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.99 114.65 3.97 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.606 1.319 . . . . 0.0 110.539 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.25 164.39 35.78 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.474 1.25 . . . . 0.0 110.581 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.01 -24.69 10.56 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.751 -1.339 . . . . 0.0 109.751 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.435 ' HG ' ' CD1' ' A' ' 15' ' ' LEU . 10.4 tp -54.15 -26.37 27.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.218 -1.166 . . . . 0.0 110.4 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.468 HG23 HG11 ' C' ' 11' ' ' VAL . 21.1 m -60.76 -59.76 4.88 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.226 -0.921 . . . . 0.0 110.288 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.44 -30.8 61.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 0.0 110.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.27 -58.57 3.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.166 -0.959 . . . . 0.0 110.528 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 68.9 mt -61.94 -57.38 11.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 0.0 110.639 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.15 -37.42 46.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.088 -1.008 . . . . 0.0 110.239 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.15 96.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.665 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 t80 -72.33 -35.72 68.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.348 -1.089 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.705 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.72 -54.84 32.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.066 -1.022 . . . . 0.0 108.988 179.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.36 -46.95 94.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -50.56 -56.26 12.48 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.362 0.601 . . . . 0.0 111.074 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 18' ' ' TYR . 21.3 t -62.4 -24.51 35.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.301 -0.874 . . . . 0.0 110.508 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.774 HD13 HG12 ' C' ' 3' ' ' ILE . 0.2 OUTLIER -89.43 -26.61 20.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.128 -0.982 . . . . 0.0 110.147 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -75.48 -55.8 5.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.292 -0.88 . . . . 0.0 110.128 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.72 -30.42 36.27 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.272 -0.893 . . . . 0.0 109.73 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.85 57.61 14.74 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 110.235 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.6 151.43 58.45 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.525 1.276 . . . . 0.0 110.48 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.79 -36.72 7.63 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.671 1.353 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -111.08 122.71 48.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 0.0 110.189 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -89.24 -33.27 17.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 0.0 110.166 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.3 t -52.54 -61.17 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.25 -0.906 . . . . 0.0 109.92 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.05 -45.73 90.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.541 -0.724 . . . . 0.0 109.978 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 19.2 t80 -57.4 -54.21 49.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 109.612 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -49.22 -35.01 16.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.583 HG13 ' OG1' ' B' ' 39' ' ' THR . 93.7 t -70.79 -53.45 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.288 -0.882 . . . . 0.0 110.119 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -49.71 -46.6 50.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 0.0 110.662 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.462 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 18.2 t80 -55.17 -72.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 0.0 110.201 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 27.5 m-85 -54.46 -41.97 70.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.492 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.471 ' OG1' HG13 ' B' ' 35' ' ' VAL . 26.7 m -53.17 -49.77 65.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.962 . . . . 0.0 109.943 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -31.02 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.848 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -54.73 -36.73 65.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 0.0 110.041 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -44.57 84.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.407 -0.808 . . . . 0.0 110.277 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 0.0 110.293 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.751 HG13 HD11 ' A' ' 23' ' ' LEU . 3.7 mp . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.49 138.14 31.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.451 1.237 . . . . 0.0 110.545 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.06 157.65 50.58 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.634 1.334 . . . . 0.0 110.43 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.36 -25.9 4.47 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -76.79 -8.58 57.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.281 -1.129 . . . . 0.0 110.541 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.0 m -80.65 -60.15 2.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 0.0 110.583 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.67 -49.72 64.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.363 -0.835 . . . . 0.0 110.769 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.69 -56.97 14.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.24 -0.912 . . . . 0.0 110.704 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 15' ' ' LEU . 2.2 mm? -58.45 -46.17 87.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -0.989 . . . . 0.0 110.603 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -50.08 -44.97 52.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.012 -1.055 . . . . 0.0 110.308 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.65 80.33 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.706 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 14.9 t80 -55.82 -34.38 65.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.336 -1.097 . . . . 0.0 109.75 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -64.84 -42.27 95.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.412 -0.805 . . . . 0.0 110.233 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.37 -21.98 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 0.0 110.388 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.2 mt-10 -89.92 -51.45 5.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.266 -0.896 . . . . 0.0 108.827 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' B' ' 30' ' ' LEU . 41.6 t -48.36 -31.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.756 -0.59 . . . . 0.0 110.121 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.82 HD11 ' HA ' ' C' ' 18' ' ' VAL . 25.5 mt -89.37 -31.56 17.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.264 -0.897 . . . . 0.0 109.964 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.22 -63.02 1.46 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.294 -0.879 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -53.8 -34.83 60.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -0.931 . . . . 0.0 110.122 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.0 OUTLIER 51.93 51.17 9.45 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.452 -0.78 . . . . 0.0 110.403 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.49 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 45.9 Cg_endo -70.82 156.09 61.23 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.596 1.314 . . . . 0.0 110.382 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.26 -50.59 0.4 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.702 1.37 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -110.76 114.49 27.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 0.0 109.982 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' B' ' 22' ' ' VAL . 0.5 OUTLIER -67.48 -32.21 72.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.92 . . . . 0.0 110.263 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.08 -62.93 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.239 -0.913 . . . . 0.0 109.963 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.71 -42.65 89.18 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.565 -0.71 . . . . 0.0 110.045 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.49 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 23.2 t80 -58.69 -52.36 66.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.907 . . . . 0.0 109.733 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.706 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -51.18 -38.83 54.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.471 HG13 ' OG1' ' A' ' 39' ' ' THR . 95.5 t -70.93 -42.03 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.141 -0.975 . . . . 0.0 110.361 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.3 -29.77 70.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.897 . . . . 0.0 110.776 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.463 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 37.4 t80 -72.28 -60.75 2.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.121 -0.987 . . . . 0.0 110.608 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -62.94 -47.73 81.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.135 -0.978 . . . . 0.0 110.58 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.583 ' OG1' HG13 ' A' ' 35' ' ' VAL . 71.9 m -51.91 -45.94 64.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.104 -0.998 . . . . 0.0 110.201 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -68.85 -29.71 68.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -0.941 . . . . 0.0 109.866 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tp -55.66 -39.41 70.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.851 . . . . 0.0 110.218 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -48.64 47.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.302 -0.874 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 109.882 179.734 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.047 0.451 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.774 HG12 HD13 ' A' ' 23' ' ' LEU . 3.0 mt -47.92 -38.73 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.235 -0.916 . . . . 0.0 110.505 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.94 -19.91 66.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.176 -0.952 . . . . 0.0 110.208 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -97.08 -42.74 7.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 109.706 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -32.76 72.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.249 -0.907 . . . . 0.0 109.651 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.705 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -79.52 -21.01 45.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.258 -0.901 . . . . 0.0 109.675 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -32.02 45.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 0.0 109.574 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -49.54 14.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.197 -0.939 . . . . 0.0 109.955 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.527 HG23 ' N ' ' C' ' 11' ' ' VAL . 0.9 OUTLIER -51.78 -41.5 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.056 -1.027 . . . . 0.0 109.496 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . 0.527 ' N ' HG23 ' C' ' 10' ' ' ILE . 76.6 t -66.54 -36.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.435 -0.791 . . . . 0.0 109.093 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -55.92 -40.96 73.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 0.0 109.878 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.26 91.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 0.0 110.057 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 t -64.59 -31.56 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 0.0 109.438 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 81.4 mt -74.27 -27.94 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.214 -0.928 . . . . 0.0 109.777 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -85.17 -21.94 28.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 0.0 110.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -92.0 -36.74 13.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 0.0 110.557 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.82 ' HA ' HD11 ' B' ' 23' ' ' LEU . 4.7 p . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.089 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.25 0.548 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.2 ttt -95.47 56.59 1.84 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.207 -0.933 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.07 51.62 0.05 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.606 -1.397 . . . . 0.0 109.606 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -148.04 63.81 1.11 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -1.163 . . . . 0.0 110.267 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 tp -122.56 136.95 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.28 -0.887 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.751 ' O ' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -170.12 53.04 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.156 -0.965 . . . . 0.0 110.39 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.751 HG23 ' O ' ' A' ' 6' ' ' GLN . 1.0 OUTLIER -162.4 66.72 1.88 Allowed Pre-proline 0 N--CA 1.498 1.96 0 O-C-N 121.37 -0.831 . . . . 0.0 110.437 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.96 128.82 15.42 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.511 1.269 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 -166.93 0.3 Allowed 'Trans proline' 0 C--N 1.314 -1.277 0 O-C-N 123.525 1.277 . . . . 0.0 110.421 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.73 -34.14 5.64 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.19 -17.68 64.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.196 -1.179 . . . . 0.0 110.427 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.486 HG23 ' CG1' ' C' ' 11' ' ' VAL . 89.9 m -72.03 -66.3 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.198 -0.939 . . . . 0.0 110.636 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -54.39 -31.67 55.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.28 -0.887 . . . . 0.0 110.459 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tp -69.12 -55.54 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 0.0 110.438 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD22 HG11 ' C' ' 14' ' ' VAL . 0.9 OUTLIER -58.76 -48.28 81.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.16 -0.962 . . . . 0.0 110.487 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.711 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.0 OUTLIER -51.78 -44.02 63.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.167 -0.958 . . . . 0.0 110.249 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.0 -49.0 64.24 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.63 ' O ' HG23 ' A' ' 22' ' ' VAL . 11.0 t80 -53.92 -35.21 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -1.067 . . . . 0.0 109.677 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.618 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -66.52 -31.32 71.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.361 -0.837 . . . . 0.0 110.251 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.7 -23.91 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 110.848 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 1.6 mt-10 -81.23 -51.82 7.99 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.028 -1.045 . . . . 0.0 109.002 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 18' ' ' TYR . 29.4 t -59.37 -34.69 55.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 121.211 0.529 . . . . 0.0 110.397 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 19' ' ' THR . 4.2 mm? -79.55 -29.58 41.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.959 . . . . 0.0 110.397 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -55.09 6.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.202 -0.936 . . . . 0.0 110.32 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -33.88 41.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -0.913 . . . . 0.0 110.482 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.37 63.55 8.08 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.271 -0.893 . . . . 0.0 110.112 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.56 160.26 50.08 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.65 1.342 . . . . 0.0 110.597 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.61 -42.18 2.7 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.798 1.42 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.77 116.94 27.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.159 -0.963 . . . . 0.0 110.348 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.62 -33.49 62.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.887 . . . . 0.0 109.991 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG12 ' HD2' ' B' ' 42' ' ' ARG . 43.9 t -50.44 -54.81 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.299 -0.875 . . . . 0.0 109.896 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.34 -46.97 74.97 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.627 -0.671 . . . . 0.0 110.071 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -56.78 -36.07 69.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 0.0 109.802 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -60.17 -49.0 79.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 0.0 110.042 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG13 ' OG1' ' B' ' 39' ' ' THR . 92.5 t -64.59 -28.21 44.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.282 -0.886 . . . . 0.0 110.039 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -70.48 -49.36 49.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.703 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.01 -70.14 0.2 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.4 -0.813 . . . . 0.0 111.293 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -48.03 -53.04 17.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.244 -0.91 . . . . 0.0 111.351 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.513 ' OG1' HG13 ' B' ' 35' ' ' VAL . 22.3 m -48.9 -41.67 34.34 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.275 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -71.37 -28.14 63.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.0 109.573 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -31.87 66.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 0.0 109.909 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -18.1 60.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.291 -0.881 . . . . 0.0 110.528 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -107.53 14.22 26.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.12 -0.987 . . . . 0.0 110.636 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.89 -28.52 39.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.085 -1.009 . . . . 0.0 110.183 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.96 -65.04 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.255 -0.903 . . . . 0.0 110.085 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.141 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.251 0.548 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 6.6 tpt 53.51 97.25 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.205 -0.934 . . . . 0.0 110.17 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' B' ' 4' ' ' HIS . . . -112.4 156.65 15.46 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' B' ' 3' ' ' GLY . 1.9 m-70 -173.05 -176.44 1.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -1.124 . . . . 0.0 110.052 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.595 HD12 ' N ' ' B' ' 5' ' ' ILE . 5.3 mp -117.06 139.15 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.2 -0.938 . . . . 0.0 110.171 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -135.62 -178.7 5.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.331 -0.856 . . . . 0.0 110.224 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm -121.0 140.38 30.82 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.218 -0.926 . . . . 0.0 110.142 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.13 135.51 23.01 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.664 1.349 . . . . 0.0 110.425 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.82 166.19 28.68 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.561 1.295 . . . . 0.0 110.292 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -37.05 3.85 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.15 -51.46 69.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -1.131 . . . . 0.0 110.167 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -61.73 -47.2 86.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.328 -0.858 . . . . 0.0 110.176 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.33 -35.31 71.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 110.163 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.61 -59.2 3.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.291 -0.881 . . . . 0.0 110.259 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.07 -35.93 65.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.22 -51.94 60.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 109.786 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.32 -41.55 98.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.552 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 32.7 t80 -64.85 -48.55 73.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -1.058 . . . . 0.0 109.652 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 88.7 m -51.35 -38.06 51.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.255 -0.903 . . . . 0.0 110.138 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.59 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.286 -0.884 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 18' ' ' TYR . 9.9 pt-20 -43.81 -39.32 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.672 -0.643 . . . . 0.0 111.221 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 18' ' ' TYR . 48.2 t -52.76 -43.37 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.938 -1.102 . . . . 0.0 109.773 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' B' ' 23' ' ' LEU . 4.1 mm? -77.41 -46.82 21.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 0.0 110.345 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -50.54 70.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.109 -0.995 . . . . 0.0 110.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -34.92 60.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.18 55.68 16.36 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.377 -0.827 . . . . 0.0 110.288 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.16 161.75 44.84 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.728 1.383 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.13 -50.92 0.3 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.709 1.373 . . . . 0.0 110.222 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.61 122.14 44.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.895 . . . . 0.0 110.124 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.57 -27.14 58.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 0.0 110.216 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.06 -68.41 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.247 -0.908 . . . . 0.0 110.312 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' B' ' 36' ' ' GLU . 3.0 t0 -53.58 -42.29 67.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.45 -0.781 . . . . 0.0 109.835 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -57.42 -53.32 59.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 0.0 109.787 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.552 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -50.88 -39.59 54.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.331 -0.856 . . . . 0.0 110.26 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.513 HG13 ' OG1' ' A' ' 39' ' ' THR . 64.0 t -71.19 -33.16 49.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.253 -0.904 . . . . 0.0 110.116 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 2.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.267 -0.896 . . . . 0.0 110.549 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -77.15 -67.32 0.72 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.132 -0.98 . . . . 0.0 110.465 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.46 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 14.5 m-85 -53.75 -45.52 70.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -0.928 . . . . 0.0 110.527 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' HG13 ' A' ' 35' ' ' VAL . 51.5 m -57.08 -36.98 71.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.13 -0.981 . . . . 0.0 110.15 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 ttt85 -73.74 -30.16 62.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.931 . . . . 0.0 110.084 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -41.48 81.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 0.0 109.845 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.53 ' HD2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.03 -34.33 29.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 0.0 110.22 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.3 -25.25 66.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.313 -0.867 . . . . 0.0 109.98 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.37 -42.55 62.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.306 -0.871 . . . . 0.0 110.125 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 78.42 3.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.285 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.24 0.543 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -73.03 -29.45 63.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.108 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.84 -39.72 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.867 . . . . 0.0 110.094 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.88 -16.86 53.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 110.287 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -94.88 -43.23 8.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 0.0 109.887 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.84 61.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.357 -0.839 . . . . 0.0 109.877 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.573 ' O ' HG23 ' C' ' 11' ' ' VAL . . . -80.06 -20.39 45.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.246 -0.909 . . . . 0.0 109.683 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -78.53 -34.26 47.31 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.132 -0.98 . . . . 0.0 109.632 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -79.6 -39.99 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.286 -0.884 . . . . 0.0 110.113 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.423 HD13 ' O ' ' C' ' 10' ' ' ILE . 0.3 OUTLIER -55.43 -41.7 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.967 . . . . 0.0 109.181 179.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.711 HG21 ' HG3' ' A' ' 16' ' ' GLN . 89.5 t -64.07 -40.79 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.545 -0.722 . . . . 0.0 109.784 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -29.41 33.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.477 -0.764 . . . . 0.0 110.761 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -46.21 25.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.069 -1.02 . . . . 0.0 110.441 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.553 HG11 HD22 ' A' ' 15' ' ' LEU . 55.6 t -63.46 -45.51 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 110.152 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.531 HG22 ' O ' ' C' ' 11' ' ' VAL . 0.9 OUTLIER -66.62 -27.0 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.167 -0.958 . . . . 0.0 110.344 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.81 -22.07 63.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 110.411 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -101.36 -50.46 3.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.257 -0.902 . . . . 0.0 110.807 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 7' ' ' ILE . 40.5 t -56.4 -33.9 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.162 -0.961 . . . . 0.0 110.725 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -89.25 -25.21 21.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.993 -1.067 . . . . 0.0 110.308 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.38 3.53 51.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.311 -0.868 . . . . 0.0 110.576 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.29 -32.16 26.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.004 -1.06 . . . . 0.0 110.179 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.32 55.65 1.08 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.5 -56.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.255 -1.144 . . . . 0.0 110.282 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.301 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.251 0.548 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 3' ' ' GLY . 8.3 ptp -130.03 -38.54 1.43 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.87 . . . . 0.0 110.197 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.442 ' N ' ' HG3' ' A' ' 2' ' ' MET . . . -87.75 121.17 5.79 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.71 96.65 5.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.24 -1.153 . . . . 0.0 110.218 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 mt -146.85 135.47 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.637 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -141.85 38.56 1.64 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.637 HD12 ' H ' ' A' ' 6' ' ' GLN . 4.4 mp -120.55 104.52 42.53 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.226 -0.921 . . . . 0.0 109.939 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -71.38 112.67 3.4 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.589 1.31 . . . . 0.0 110.772 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.79 174.82 11.21 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.611 1.322 . . . . 0.0 110.332 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.94 -7.93 80.96 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 11' ' ' LEU . 15.5 tp -66.18 -13.0 59.51 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.862 -1.375 . . . . 0.0 110.731 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 m -79.85 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 0.0 110.511 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -31.0 11.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.874 . . . . 0.0 110.618 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -53.9 9.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 0.0 110.351 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.442 HD23 HG21 ' C' ' 14' ' ' VAL . 4.4 mp -66.41 -60.97 2.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 0.0 110.439 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -50.67 -36.67 36.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.171 -0.956 . . . . 0.0 110.335 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -55.84 -42.88 86.95 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.777 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.4 t80 -62.66 -39.15 92.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.471 -1.017 . . . . 0.0 109.762 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.542 HG21 HD12 ' C' ' 10' ' ' ILE . 0.2 OUTLIER -61.64 -33.5 74.05 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.422 -0.799 . . . . 0.0 110.212 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.027 HG22 HD12 ' C' ' 3' ' ' ILE . 42.9 t -76.25 -22.69 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.837 . . . . 0.0 110.794 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -93.13 -45.72 7.76 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.053 -1.03 . . . . 0.0 109.1 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 18' ' ' TYR . 49.3 t -56.44 -32.28 35.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.679 -0.638 . . . . 0.0 110.347 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.901 HD21 HG13 ' B' ' 7' ' ' ILE . 0.2 OUTLIER -90.31 -33.54 16.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 0.0 110.362 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.79 -57.08 3.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.195 -0.94 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -30.47 71.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.254 -0.904 . . . . 0.0 110.399 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 52.27 59.64 14.23 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.258 -0.901 . . . . 0.0 110.367 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.66 151.82 64.18 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.594 1.312 . . . . 0.0 110.578 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.87 -36.8 5.7 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.685 1.36 . . . . 0.0 110.22 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.14 115.54 21.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.846 . . . . 0.0 110.103 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.705 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -70.95 -49.34 46.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 0.0 110.148 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -48.59 -60.9 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.303 -0.873 . . . . 0.0 110.084 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.47 -40.22 86.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.596 -0.69 . . . . 0.0 109.705 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -61.13 -48.53 81.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 109.469 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.11 -44.4 83.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG13 ' OG1' ' B' ' 39' ' ' THR . 74.3 t -69.74 -28.32 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.297 -0.877 . . . . 0.0 109.656 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -31.55 34.49 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.294 -0.879 . . . . 0.0 109.518 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -78.02 -64.47 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 0.0 110.082 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.425 ' HB3' HG23 ' B' ' 35' ' ' VAL . 9.2 m-85 -50.36 -43.25 54.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.323 -0.861 . . . . 0.0 110.651 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.567 ' OG1' HG13 ' B' ' 35' ' ' VAL . 19.9 m -58.61 -42.42 88.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.063 -1.023 . . . . 0.0 109.853 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -30.78 71.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 0.0 109.98 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.85 64.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.329 -0.857 . . . . 0.0 110.05 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -31.59 72.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.302 -0.874 . . . . 0.0 110.058 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -77.52 -32.25 53.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.304 -0.872 . . . . 0.0 110.149 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.34 -28.82 61.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.988 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 52.93 77.44 0.16 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.248 -0.908 . . . . 0.0 110.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.128 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.224 0.535 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -154.58 95.95 1.84 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.22 -0.925 . . . . 0.0 110.376 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.35 127.51 8.53 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' B' ' 4' ' ' HIS . 38.2 t-80 -144.64 32.53 1.16 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -1.19 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.461 ' O ' HG23 ' B' ' 5' ' ' ILE . 0.6 OUTLIER -124.62 130.88 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.216 -0.928 . . . . 0.0 110.412 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -169.92 172.8 6.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 0.0 110.231 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.901 HG13 HD21 ' A' ' 23' ' ' LEU . 4.1 mp -75.9 141.66 71.91 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 0.0 109.98 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.458 ' HD2' HG23 ' B' ' 7' ' ' ILE . 45.0 Cg_endo -72.16 135.12 24.37 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.701 1.369 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -74.89 -2.22 12.22 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.6 1.316 . . . . 0.0 111.523 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.35 -12.44 83.09 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' B' ' 11' ' ' LEU . 36.1 tp -80.27 -35.93 35.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.007 -1.29 . . . . 0.0 110.265 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -54.48 -66.48 0.39 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 0.0 110.206 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.27 -27.44 22.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.395 -0.816 . . . . 0.0 110.353 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -61.01 1.96 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.186 -0.946 . . . . 0.0 110.221 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.95 -53.63 53.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.336 -0.853 . . . . 0.0 110.497 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -43.53 34.86 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.186 -0.946 . . . . 0.0 110.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . -55.67 -51.62 53.72 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.14 -41.57 65.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -1.119 . . . . 0.0 110.097 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -55.06 -35.56 64.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.842 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -72.94 -25.01 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 0.0 110.383 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 17' ' ' GLY . 7.4 mm-40 -87.7 -52.66 5.19 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.2 -0.938 . . . . 0.0 109.109 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.554 HG13 HD11 ' B' ' 30' ' ' LEU . 79.8 t -47.18 -35.78 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.808 -0.557 . . . . 0.0 110.399 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.828 HD21 HG13 ' C' ' 18' ' ' VAL . 69.8 mt -90.13 -23.52 21.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -87.3 -22.39 25.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.267 -0.895 . . . . 0.0 110.633 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.44 -32.95 10.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 0.0 110.702 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.469 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.2 mm100 53.7 51.57 8.65 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.128 -0.982 . . . . 0.0 110.075 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 45.5 Cg_endo -70.77 155.04 63.37 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.672 1.354 . . . . 0.0 110.621 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -71.55 -35.05 8.52 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.712 1.375 . . . . 0.0 110.144 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -123.62 121.01 34.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.841 . . . . 0.0 109.949 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.554 HD11 HG13 ' B' ' 22' ' ' VAL . 0.3 OUTLIER -74.48 -44.16 52.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 0.0 110.566 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -49.41 -58.64 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.227 -0.921 . . . . 0.0 110.107 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.71 -38.53 81.9 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.59 -0.693 . . . . 0.0 109.776 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -62.28 -49.74 74.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 109.44 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.6 79.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.342 -0.849 . . . . 0.0 109.723 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.567 HG13 ' OG1' ' A' ' 39' ' ' THR . 71.7 t -68.8 -31.49 50.94 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.276 -0.89 . . . . 0.0 109.656 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.59 -30.14 36.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.44 -0.787 . . . . 0.0 109.349 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -78.8 -61.57 1.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 0.0 110.397 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -54.11 -50.34 67.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 0.0 110.332 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.614 ' OG1' HG13 ' A' ' 35' ' ' VAL . 22.5 m -50.63 -45.66 57.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.209 -0.932 . . . . 0.0 110.029 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -24.18 66.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.13 -0.981 . . . . 0.0 109.987 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.09 -24.12 62.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.293 -0.879 . . . . 0.0 110.415 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -83.59 -24.19 31.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.217 -0.927 . . . . 0.0 110.199 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -91.6 -23.35 19.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.264 -0.897 . . . . 0.0 110.31 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.37 -58.8 2.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.161 -0.962 . . . . 0.0 110.192 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -91.72 64.81 4.93 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 110.338 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.204 179.924 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . 0.596 ' C ' HD23 ' C' ' 2' ' ' LEU . 82.8 m-20 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.275 0.56 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.701 HD12 HG23 ' C' ' 3' ' ' ILE . 0.1 OUTLIER -155.73 -88.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.262 -0.899 . . . . 0.0 110.331 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 1.027 HD12 HG22 ' A' ' 20' ' ' VAL . 40.4 pt -50.32 -29.78 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.878 -1.139 . . . . 0.0 110.474 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.435 ' N ' HG13 ' C' ' 3' ' ' ILE . 16.9 tp10 -49.63 -30.4 8.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.349 -0.845 . . . . 0.0 110.935 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.24 -49.15 3.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 0.0 110.312 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.31 65.61 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.253 -0.905 . . . . 0.0 110.416 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' C' ' 10' ' ' ILE . . . -75.78 -29.55 58.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.034 -1.041 . . . . 0.0 109.339 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' C' ' 4' ' ' GLU . 2.8 t -65.97 -37.96 87.33 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.538 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -67.06 -36.27 81.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 0.0 109.454 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' C' ' 7' ' ' ALA . 56.1 mt -54.23 -38.17 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 0.0 109.204 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.587 ' O ' HG22 ' C' ' 15' ' ' ILE . 91.9 t -66.79 -45.99 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 110.112 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -35.11 69.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.386 -0.821 . . . . 0.0 110.961 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.84 43.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.108 -0.995 . . . . 0.0 110.745 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.442 HG21 HD23 ' A' ' 15' ' ' LEU . 55.2 t -81.03 -39.22 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.007 . . . . 0.0 109.517 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.587 HG22 ' O ' ' C' ' 11' ' ' VAL . 1.3 tt -72.19 -20.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 0.0 109.721 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' C' ' 20' ' ' ALA . 10.1 mt-10 -87.91 -29.16 21.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.283 -0.885 . . . . 0.0 110.127 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -88.17 -44.04 11.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.326 -0.858 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.828 HG13 HD21 ' B' ' 23' ' ' LEU . 61.0 t -67.86 -45.37 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.889 . . . . 0.0 110.215 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -70.77 -32.92 70.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 110.495 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' C' ' 16' ' ' GLU . . . -82.36 -20.72 36.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.241 -0.912 . . . . 0.0 110.341 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.64 -77.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.171 -0.956 . . . . 0.0 110.107 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.14 52.17 41.87 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.79 -76.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.153 -1.204 . . . . 0.0 110.242 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.131 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.28 0.562 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 68.0 mtt -73.01 -23.47 60.62 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.894 . . . . 0.0 110.219 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.13 177.29 50.67 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -109.74 -164.9 0.96 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -1.141 . . . . 0.0 110.27 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 5' ' ' ILE . 5.3 mp -112.89 137.11 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.25 -0.906 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.22 -157.67 0.62 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.277 -0.889 . . . . 0.0 110.262 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.934 HG21 ' O ' ' C' ' 18' ' ' VAL . 2.2 pp -61.35 142.38 93.76 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 0.0 110.301 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.69 129.67 13.84 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.624 1.328 . . . . 0.0 110.383 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.37 159.18 47.2 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 123.465 1.245 . . . . 0.0 110.393 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 117.86 -15.93 12.35 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -30.74 70.96 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.042 -1.269 . . . . 0.0 110.616 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.3 m -73.12 -35.86 66.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.207 -0.933 . . . . 0.0 110.721 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -80.84 -23.36 39.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.216 -0.928 . . . . 0.0 110.643 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 10' ' ' GLY . 2.2 mt -82.83 -42.15 18.2 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.14 -0.975 . . . . 0.0 110.779 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD23 HG21 ' C' ' 14' ' ' VAL . 5.5 mp -68.68 -51.22 44.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.201 -0.937 . . . . 0.0 110.938 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.1 mp0 -62.26 -39.69 93.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.072 -1.017 . . . . 0.0 109.616 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.49 -28.71 56.25 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.223 -1.951 . . . . 0.0 108.223 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.733 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 6.6 t80 -82.28 -47.76 12.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.769 -0.842 . . . . 0.0 109.485 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -26.84 40.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.327 -0.858 . . . . 0.0 109.458 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 16' ' ' GLN . 78.8 t -77.81 -76.28 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.529 -0.732 . . . . 0.0 110.808 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 9.6 pt-20 -47.34 -44.83 24.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.285 -0.884 . . . . 0.0 111.17 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.495 HG22 ' CE2' ' A' ' 33' ' ' PHE . 89.2 t -54.57 -51.02 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.918 -1.113 . . . . 0.0 109.755 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD12 HG23 ' C' ' 3' ' ' ILE . 14.0 mt -68.21 -12.53 61.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 0.0 110.402 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -70.04 0.74 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.076 -1.015 . . . . 0.0 110.469 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -27.75 15.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.14 -0.975 . . . . 0.0 110.185 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.16 59.27 16.05 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.926 . . . . 0.0 110.382 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.75 147.07 49.81 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.703 1.37 . . . . 0.0 110.402 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.3 -21.97 34.86 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 O-C-N 123.698 1.367 . . . . 0.0 110.621 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.58 114.53 18.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.145 -0.972 . . . . 0.0 110.481 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.59 HD13 ' C ' ' A' ' 30' ' ' LEU . 2.4 tm? -75.35 -51.07 14.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -0.82 . . . . 0.0 109.492 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 31' ' ' VAL . 43.1 t -52.17 -49.4 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 0.0 109.576 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -66.82 -36.31 82.08 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.758 -0.589 . . . . 0.0 109.965 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CE2' HG22 ' A' ' 22' ' ' VAL . 91.3 t80 -65.95 -34.69 78.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 0.0 109.725 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.733 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -68.26 -37.15 80.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 0.0 109.945 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG13 ' OG1' ' B' ' 39' ' ' THR . 78.3 t -70.09 -27.43 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.27 -0.894 . . . . 0.0 110.047 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.52 -34.24 27.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.223 -0.923 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 87.5 t80 -75.27 -60.47 2.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.132 -0.98 . . . . 0.0 110.17 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.617 ' HE1' HD22 ' A' ' 14' ' ' LEU . 6.6 m-85 -55.13 -43.81 74.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 110.271 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HG13 ' B' ' 35' ' ' VAL . 23.6 m -61.64 -36.96 82.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.078 -1.014 . . . . 0.0 109.722 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -28.27 68.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.266 -0.896 . . . . 0.0 109.602 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.49 -34.33 67.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 109.969 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -56.47 -27.31 56.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 0.0 109.731 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.15 -49.11 5.9 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 109.928 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.27 32.36 8.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.389 -0.819 . . . . 0.0 110.236 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 74.63 1.19 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.367 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.251 0.548 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 49.8 mtt -75.66 -167.92 0.77 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.926 . . . . 0.0 109.919 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.32 123.46 2.63 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.492 ' O ' HD13 ' B' ' 5' ' ' ILE . 20.5 m170 -105.76 129.99 53.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.288 -1.125 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.492 HD13 ' O ' ' B' ' 4' ' ' HIS . 48.9 mm -129.21 74.09 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.868 . . . . 0.0 110.169 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -100.05 38.01 1.55 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.927 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' B' ' 8' ' ' PRO . 7.4 mt -141.8 143.73 30.0 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.357 -0.839 . . . . 0.0 110.369 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' B' ' 7' ' ' ILE . 46.5 Cg_endo -72.72 137.19 26.88 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.65 1.342 . . . . 0.0 110.58 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.61 164.29 34.1 Favored 'Trans proline' 0 C--N 1.312 -1.391 0 O-C-N 123.567 1.298 . . . . 0.0 110.157 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.48 -37.8 3.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -56.25 -49.29 74.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.268 -1.136 . . . . 0.0 110.213 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.8 m -60.05 -47.24 86.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.105 -0.997 . . . . 0.0 110.336 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.73 -30.42 68.03 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' B' ' 14' ' ' LEU . 25.8 tp -69.89 -41.57 74.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.161 -0.962 . . . . 0.0 110.332 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.31 -45.69 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 110.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.683 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -55.73 -36.92 67.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.194 -0.941 . . . . 0.0 109.752 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.49 -48.35 74.43 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 108.996 -1.641 . . . . 0.0 108.996 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.64 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.3 t80 -59.78 -53.46 57.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -1.107 . . . . 0.0 109.83 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.53 HG23 ' CG2' ' C' ' 18' ' ' VAL . 85.0 m -51.14 -36.51 41.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.319 -0.863 . . . . 0.0 110.366 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.683 HG23 ' O ' ' B' ' 16' ' ' GLN . 49.1 t -65.87 -74.93 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.226 -0.921 . . . . 0.0 110.313 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.412 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 7.4 pt-20 -45.4 -38.9 6.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.385 -0.822 . . . . 0.0 110.977 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 18' ' ' TYR . 43.7 t -54.34 -46.42 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 0.0 110.083 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.737 HD21 HG13 ' C' ' 18' ' ' VAL . 2.9 mm? -67.63 -27.04 66.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.089 -1.007 . . . . 0.0 110.256 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.18 -66.88 0.83 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.892 . . . . 0.0 110.194 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.401 ' O ' ' HD3' ' B' ' 27' ' ' PRO . 0.5 OUTLIER -84.91 55.78 3.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.892 . . . . 0.0 110.387 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -36.13 96.31 0.1 Allowed Pre-proline 0 N--CA 1.501 2.123 0 O-C-N 122.037 -0.414 . . . . 0.0 111.782 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' B' ' 25' ' ' GLN . 49.9 Cg_endo -79.75 169.55 18.04 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.897 1.472 . . . . 0.0 110.384 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.38 -35.68 7.96 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.69 1.363 . . . . 0.0 110.02 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -154.69 118.3 4.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -0.839 . . . . 0.0 110.006 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.642 ' H ' HD12 ' B' ' 30' ' ' LEU . 3.6 mp -53.84 -27.6 30.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.291 -0.881 . . . . 0.0 110.049 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.447 ' O ' HG23 ' B' ' 35' ' ' VAL . 39.3 t -52.68 -50.7 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.487 -0.758 . . . . 0.0 109.72 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.3 -50.11 29.47 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.579 -0.701 . . . . 0.0 109.917 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -54.88 -53.04 60.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 0.0 109.508 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.34 -39.13 21.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.515 -0.741 . . . . 0.0 110.42 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.569 HG13 ' OG1' ' A' ' 39' ' ' THR . 84.5 t -77.4 -32.36 18.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.144 -0.973 . . . . 0.0 109.96 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -25.73 40.09 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 0.0 109.623 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.412 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 65.5 t80 -80.26 -64.2 1.24 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.132 -0.98 . . . . 0.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.402 ' HB3' HG23 ' A' ' 35' ' ' VAL . 20.6 m-85 -54.77 -44.98 74.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.178 -0.951 . . . . 0.0 110.589 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.449 ' OG1' HG13 ' A' ' 35' ' ' VAL . 34.0 m -56.27 -46.49 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.031 -1.043 . . . . 0.0 110.141 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -25.32 65.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.175 -0.953 . . . . 0.0 110.132 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.71 -31.73 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.21 -0.931 . . . . 0.0 110.079 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -54.37 -27.37 35.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.917 . . . . 0.0 109.95 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.72 -64.09 1.2 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 0.0 110.01 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 49.43 35.71 8.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.363 -0.836 . . . . 0.0 110.627 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.2 79.63 0.12 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.132 -0.98 . . . . 0.0 110.249 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.124 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.189 0.518 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.46 ' HA ' HD22 ' C' ' 2' ' ' LEU . 0.1 OUTLIER -104.94 -24.71 12.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.15 -0.969 . . . . 0.0 110.441 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.467 HG23 HD12 ' A' ' 23' ' ' LEU . 55.7 mt -70.91 -56.5 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.05 -1.031 . . . . 0.0 109.949 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.61 -16.89 28.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 110.167 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -86.31 -49.27 7.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.202 -0.937 . . . . 0.0 109.551 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . 0.409 ' CB ' HD11 ' B' ' 7' ' ' ILE . . . -65.56 -34.13 77.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.244 -0.91 . . . . 0.0 109.419 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.439 ' O ' ' HB ' ' C' ' 10' ' ' ILE . . . -77.8 -21.74 51.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.298 -0.876 . . . . 0.0 109.267 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -40.16 76.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.107 -0.996 . . . . 0.0 108.9 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -36.8 80.04 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.38 -0.825 . . . . 0.0 109.24 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' C' ' 10' ' ' ILE . 5.5 mm -54.19 -44.67 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.364 -0.835 . . . . 0.0 108.886 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.443 HG23 ' CD ' ' A' ' 16' ' ' GLN . 75.3 t -53.63 -45.04 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.311 -0.868 . . . . 0.0 109.765 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -62.71 -36.07 81.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.413 -0.804 . . . . 0.0 110.773 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.52 -18.33 41.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 0.0 111.007 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.432 HG21 HD23 ' A' ' 15' ' ' LEU . 75.2 t -91.65 -24.42 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.952 -1.092 . . . . 0.0 109.769 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' C' ' 19' ' ' LYS . 52.8 mt -85.3 -24.12 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.292 -0.88 . . . . 0.0 109.43 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' C' ' 20' ' ' ALA . 8.5 mm-40 -72.46 -20.37 61.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.856 . . . . 0.0 110.409 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.94 -31.43 6.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 0.0 110.804 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.934 ' O ' HG21 ' A' ' 7' ' ' ILE . 42.0 t -93.1 -13.44 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.067 -1.021 . . . . 0.0 110.761 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' C' ' 15' ' ' ILE . 0.0 OUTLIER -111.39 -37.29 5.3 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.946 -1.096 . . . . 0.0 110.425 -179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' C' ' 16' ' ' GLU . . . -74.52 -19.28 60.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -0.876 . . . . 0.0 110.471 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.69 -28.72 67.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.145 -0.972 . . . . 0.0 110.252 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.81 -90.07 1.27 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -169.31 46.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -1.134 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.215 -179.88 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.21 0.528 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -63.19 -26.43 68.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.307 -0.87 . . . . 0.0 110.196 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.57 -133.13 8.23 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -146.06 30.22 1.06 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -1.173 . . . . 0.0 110.206 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -111.72 147.7 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.176 -0.952 . . . . 0.0 110.264 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.5 98.58 0.8 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.119 -0.988 . . . . 0.0 110.667 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.1 mp -107.34 106.12 57.56 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.353 -0.842 . . . . 0.0 109.573 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.24 112.78 3.41 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.583 1.307 . . . . 0.0 110.811 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -80.28 178.06 7.53 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.535 1.281 . . . . 0.0 110.137 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 116.48 9.39 11.51 Favored Glycine 0 N--CA 1.491 2.325 0 C-N-CA 119.867 -1.158 . . . . 0.0 110.372 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.78 0.86 57.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.942 -1.329 . . . . 0.0 110.685 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.966 HG23 HG11 ' C' ' 11' ' ' VAL . 87.1 m -80.38 -68.6 0.66 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.008 -1.057 . . . . 0.0 110.555 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -26.52 10.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -0.83 . . . . 0.0 110.449 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 10' ' ' GLY . 32.7 mt -75.68 -37.08 59.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.873 . . . . 0.0 110.354 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.794 HD21 HD11 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -81.83 -55.91 4.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 0.0 110.513 -179.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -47.26 55.84 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.127 -0.983 . . . . 0.0 110.094 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -56.56 -50.55 62.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.436 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 12.5 t80 -53.03 -43.95 66.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.476 -1.014 . . . . 0.0 109.806 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.64 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -58.59 -33.27 69.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 0.0 110.282 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.39 -27.0 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 110.878 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.8 mt-10 -77.32 -52.68 8.77 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.904 -1.123 . . . . 0.0 109.002 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 18' ' ' TYR . 40.0 t -58.5 -34.38 50.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.764 -0.585 . . . . 0.0 110.265 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 19' ' ' THR . 2.3 mm? -73.04 -36.12 66.87 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.16 -0.963 . . . . 0.0 110.522 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.37 -50.17 8.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.17 -0.956 . . . . 0.0 110.349 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -41.04 72.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 0.0 110.346 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 52.31 63.86 8.35 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.361 -0.837 . . . . 0.0 110.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.45 159.69 50.72 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.749 1.394 . . . . 0.0 110.613 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.97 -23.92 24.73 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.704 1.371 . . . . 0.0 110.352 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -141.22 114.95 9.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.925 . . . . 0.0 110.141 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.18 -31.53 71.14 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -0.908 . . . . 0.0 110.155 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -51.97 -60.85 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.136 -0.978 . . . . 0.0 109.865 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.53 -43.57 93.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.649 -0.657 . . . . 0.0 109.964 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 109.928 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.48 -41.32 80.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 109.555 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG13 ' OG1' ' B' ' 39' ' ' THR . 76.1 t -75.88 -36.63 32.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.384 -0.822 . . . . 0.0 109.819 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.11 64.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.23 -0.919 . . . . 0.0 109.657 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -73.15 -64.26 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 0.0 109.959 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.97 -51.72 55.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.236 -0.915 . . . . 0.0 110.293 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.434 ' OG1' HG13 ' B' ' 35' ' ' VAL . 57.1 m -54.59 -36.58 64.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.168 -0.957 . . . . 0.0 109.783 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -70.76 -33.37 70.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.0 109.691 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -23.97 67.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.361 -0.837 . . . . 0.0 109.957 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -66.54 -38.55 87.4 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.408 -0.808 . . . . 0.0 109.715 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.01 -24.43 58.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.837 . . . . 0.0 110.049 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.03 64.48 0.72 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.915 . . . . 0.0 110.25 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 146.42 54.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.211 -0.93 . . . . 0.0 110.021 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.215 -179.829 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.285 0.564 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.9 ttt -109.52 74.3 0.89 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.0 110.335 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.67 129.36 1.34 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -128.04 176.09 7.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -1.166 . . . . 0.0 110.206 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.551 HD12 ' N ' ' B' ' 5' ' ' ILE . 4.5 mp -106.63 94.02 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.913 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -102.51 57.77 0.79 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.256 -0.903 . . . . 0.0 109.958 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm -118.63 132.09 24.0 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.28 -0.887 . . . . 0.0 110.202 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.11 115.44 4.32 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.525 1.276 . . . . 0.0 110.397 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.06 179.15 6.03 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 O-C-N 123.454 1.239 . . . . 0.0 110.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.98 -27.32 16.92 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.08 68.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -1.147 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.6 m -71.56 -33.17 68.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 0.0 110.212 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.74 -63.39 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.949 . . . . 0.0 110.2 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.25 -29.64 15.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 110.379 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.794 HD11 HD21 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.89 -53.38 11.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.9 . . . . 0.0 110.44 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -49.14 50.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.038 -1.039 . . . . 0.0 110.263 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.1 -47.52 66.81 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.753 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.3 t80 -55.23 -53.48 55.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 0.0 109.69 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.449 ' OG1' HG13 ' C' ' 14' ' ' VAL . 87.9 m -47.73 -43.37 26.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.339 -0.85 . . . . 0.0 110.53 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.57 -74.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.368 -0.833 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 10.7 pt-20 -45.53 -39.52 7.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.458 -0.776 . . . . 0.0 111.149 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.971 HG13 HD21 ' B' ' 30' ' ' LEU . 63.6 t -52.93 -37.79 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.924 -1.11 . . . . 0.0 109.809 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.815 HD11 ' HA ' ' C' ' 18' ' ' VAL . 5.1 mt -84.0 -50.76 7.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 0.0 110.155 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -65.18 0.71 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -54.48 -36.11 63.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.249 -0.907 . . . . 0.0 110.339 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.406 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.0 tt0 51.92 55.57 15.36 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.937 . . . . 0.0 110.168 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 43.9 Cg_endo -69.97 153.79 67.6 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.698 1.367 . . . . 0.0 110.624 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.8 -37.99 6.04 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.727 1.382 . . . . 0.0 110.413 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -116.58 117.02 28.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.282 -0.886 . . . . 0.0 110.296 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.971 HD21 HG13 ' B' ' 22' ' ' VAL . 0.2 OUTLIER -72.01 -41.44 67.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 0.0 109.66 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 44.4 t -58.26 -64.85 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.39 -0.819 . . . . 0.0 109.693 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -33.99 61.07 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.563 -0.711 . . . . 0.0 109.795 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.4 -45.99 85.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 0.0 109.515 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.731 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -51.74 -37.36 50.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.416 -0.802 . . . . 0.0 110.245 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.434 HG13 ' OG1' ' A' ' 39' ' ' THR . 99.1 t -70.95 -53.48 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.292 -0.88 . . . . 0.0 110.439 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.44 -49.78 54.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 0.0 110.909 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -59.79 -71.36 0.13 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.095 -1.003 . . . . 0.0 110.512 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.28 -48.21 46.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.298 -0.876 . . . . 0.0 110.827 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' HG13 ' A' ' 35' ' ' VAL . 55.3 m -51.57 -41.6 61.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.063 -1.023 . . . . 0.0 110.055 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.54 -33.43 75.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.179 -0.95 . . . . 0.0 109.897 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.15 -24.6 37.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 0.0 110.051 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -30.59 68.8 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.233 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -90.18 -52.56 4.88 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.399 -0.813 . . . . 0.0 109.48 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 49.29 79.11 0.08 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.462 -0.774 . . . . 0.0 110.527 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -25.89 33.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 0.0 110.224 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.174 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.263 0.554 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.15 -46.13 74.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 0.0 110.392 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 30.1 mt -62.69 -42.92 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.235 -0.916 . . . . 0.0 110.202 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.57 -13.19 58.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 110.336 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.88 -47.59 8.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -1.0 . . . . 0.0 109.986 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.06 -28.26 57.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 0.0 109.996 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.64 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -76.58 -35.96 57.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.118 -0.989 . . . . 0.0 109.77 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 20.6 p -69.25 -29.48 67.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 109.636 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -38.76 32.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.329 -0.857 . . . . 0.0 109.874 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.597 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER -54.98 -34.1 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 0.0 109.222 179.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.966 HG11 HG23 ' A' ' 12' ' ' THR . 94.9 t -72.32 -44.34 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 110.031 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.43 -28.6 20.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.419 -0.801 . . . . 0.0 110.965 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.87 -44.29 18.61 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.086 -1.009 . . . . 0.0 110.333 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.745 ' O ' HG23 ' C' ' 18' ' ' VAL . 59.4 t -67.11 -33.84 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.0 109.625 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.401 HG23 HD12 ' C' ' 15' ' ' ILE . 33.5 mm -70.09 -39.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.379 -0.826 . . . . 0.0 109.717 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.37 -25.76 65.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.274 -0.891 . . . . 0.0 110.103 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -78.93 -36.57 41.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.194 -0.941 . . . . 0.0 109.971 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.815 ' HA ' HD11 ' B' ' 23' ' ' LEU . 52.9 t -67.42 -11.03 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.931 . . . . 0.0 110.586 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 9.9 7.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.14 -0.975 . . . . 0.0 110.725 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.48 -13.74 58.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.041 -1.037 . . . . 0.0 110.557 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.88 -73.31 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.143 -0.973 . . . . 0.0 110.556 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.47 52.89 3.4 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.55 43.67 1.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -1.145 . . . . 0.0 110.222 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.275 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.204 0.526 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 tpt -174.44 -37.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.272 -0.893 . . . . 0.0 110.463 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.93 117.19 0.58 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.5 28.51 8.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.28 -1.129 . . . . 0.0 110.279 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 5' ' ' ILE . 1.8 tt -119.7 52.44 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 110.205 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -123.27 -154.45 0.6 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 110.315 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.6 mp -85.58 123.9 72.04 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.961 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.53 122.81 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.465 1.245 . . . . 0.0 110.801 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.25 176.59 9.4 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 123.495 1.26 . . . . 0.0 110.367 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.05 -30.97 5.85 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 11' ' ' LEU . 19.5 tp -61.97 -17.87 58.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.271 -1.135 . . . . 0.0 110.458 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.835 HG23 HG11 ' C' ' 11' ' ' VAL . 13.2 m -71.81 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.165 -0.959 . . . . 0.0 110.53 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -27.51 68.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.356 -0.84 . . . . 0.0 110.711 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.31 -55.61 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.106 -0.996 . . . . 0.0 110.485 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD22 HD22 ' B' ' 15' ' ' LEU . 54.5 mt -61.13 -43.18 99.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.2 -0.937 . . . . 0.0 110.49 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.558 ' HG3' HG21 ' C' ' 11' ' ' VAL . 1.1 tt0 -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.0 110.044 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.52 -48.78 68.33 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.056 -1.617 . . . . 0.0 109.056 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.727 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 10.0 t80 -55.85 -34.97 65.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -1.082 . . . . 0.0 109.659 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.561 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.35 -30.7 67.71 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.39 -0.818 . . . . 0.0 109.936 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 96.7 t -75.7 -20.26 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 0.0 110.433 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 1.0 OUTLIER -95.61 -58.65 2.06 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.171 -0.956 . . . . 0.0 109.349 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 30' ' ' LEU . 96.0 t -50.63 -29.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.626 -0.671 . . . . 0.0 110.36 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' HG23 ' C' ' 3' ' ' ILE . 87.3 mt -90.21 -38.73 13.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 0.0 110.334 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -76.69 -51.51 11.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 0.0 110.507 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -73.34 -28.42 62.05 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.183 -0.948 . . . . 0.0 110.066 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.5 58.23 16.28 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 0.0 110.166 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.17 149.31 64.12 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.695 1.366 . . . . 0.0 110.674 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.32 -23.35 24.17 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.778 1.409 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 5.4 p-10 -127.37 125.36 40.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -90.16 -51.01 5.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 0.0 110.216 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.4 t -48.86 -63.36 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.362 -0.837 . . . . 0.0 110.214 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -57.94 -34.5 69.95 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.456 -0.777 . . . . 0.0 109.975 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 51.6 t80 -68.32 -43.91 76.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 0.0 109.582 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.727 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.65 -30.92 65.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 0.0 109.732 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 31' ' ' VAL . 50.3 t -70.74 -50.68 42.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.316 -0.865 . . . . 0.0 109.975 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.9 -39.69 74.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -0.854 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -68.5 -68.07 0.42 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.239 -0.913 . . . . 0.0 110.666 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.11 -48.95 64.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 0.0 110.695 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.414 ' OG1' HG13 ' B' ' 35' ' ' VAL . 56.8 m -50.73 -38.73 49.11 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 110.328 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -36.93 56.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.943 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.66 61.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 0.0 109.688 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.657 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -59.77 -36.63 77.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.32 -0.863 . . . . 0.0 109.724 179.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.73 -50.15 7.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.444 -0.785 . . . . 0.0 110.057 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.41 48.3 22.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.369 -0.832 . . . . 0.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.06 157.51 43.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -0.889 . . . . 0.0 110.224 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.225 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.255 0.55 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.31 76.85 1.51 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.26 79.39 0.1 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.67 17.6 12.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.321 -1.106 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 50.5 mm -105.06 137.63 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.157 -0.964 . . . . 0.0 110.172 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.403 ' O ' ' CG ' ' B' ' 6' ' ' GLN . 1.0 OUTLIER -159.1 79.29 0.76 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.0 110.203 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.81 122.11 69.45 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.176 -0.953 . . . . 0.0 110.113 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.79 116.32 4.51 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.506 1.266 . . . . 0.0 110.259 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.01 -177.34 2.23 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 O-C-N 123.486 1.256 . . . . 0.0 110.605 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.78 -24.82 24.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.06 -44.78 68.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -1.137 . . . . 0.0 110.151 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -57.58 -41.44 81.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.212 -0.93 . . . . 0.0 110.527 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.41 -51.49 51.13 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.227 -0.921 . . . . 0.0 110.643 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.4 -42.19 81.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.898 . . . . 0.0 110.818 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.647 HD22 HD22 ' A' ' 15' ' ' LEU . 57.6 mt -69.1 -37.57 78.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.067 -1.021 . . . . 0.0 110.639 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.417 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -56.21 -53.89 51.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.13 -0.981 . . . . 0.0 110.162 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.29 -43.28 95.65 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.461 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 53.8 t80 -65.08 -50.64 65.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.324 -1.104 . . . . 0.0 109.98 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.524 ' OG1' HG13 ' C' ' 14' ' ' VAL . 45.4 m -51.68 -33.65 34.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 0.0 110.123 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 16' ' ' GLN . 42.1 t -65.77 -70.81 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 0.0 110.044 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' B' ' 37' ' ' TYR . 9.9 pt-20 -45.25 -38.3 5.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 0.0 111.002 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.433 ' N ' ' HG3' ' B' ' 21' ' ' GLU . 42.2 t -54.95 -43.49 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.048 -1.032 . . . . 0.0 109.624 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.76 HD11 ' HA ' ' C' ' 18' ' ' VAL . 7.3 mt -75.57 -40.29 56.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 0.0 110.066 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -43.06 96.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 110.233 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.06 60.94 0.66 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 0.0 110.264 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -38.05 96.13 0.11 Allowed Pre-proline 0 N--CA 1.502 2.151 0 O-C-N 121.948 -0.47 . . . . 0.0 111.436 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -87.74 157.88 7.58 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.978 1.515 . . . . 0.0 110.517 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.96 -39.78 3.94 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.599 1.315 . . . . 0.0 110.038 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.97 119.82 23.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.867 . . . . 0.0 109.91 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -26.28 59.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 110.352 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.657 HG12 ' HG2' ' A' ' 42' ' ' ARG . 41.3 t -52.17 -60.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.156 -0.965 . . . . 0.0 109.831 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.1 -45.21 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.631 -0.668 . . . . 0.0 110.254 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.51 -50.23 73.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.236 -0.915 . . . . 0.0 109.697 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.461 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -49.94 -36.21 26.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.342 -0.849 . . . . 0.0 110.354 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.414 HG13 ' OG1' ' A' ' 39' ' ' THR . 87.5 t -71.73 -45.73 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 O-C-N 121.187 -0.946 . . . . 0.0 110.169 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.66 -38.61 85.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 0.0 110.61 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.468 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 52.5 t80 -70.27 -69.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.186 -0.947 . . . . 0.0 110.416 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -49.1 -45.27 43.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.257 -0.902 . . . . 0.0 110.673 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.544 ' OG1' HG13 ' A' ' 35' ' ' VAL . 48.2 m -57.92 -41.79 83.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.88 44.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 110.197 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' B' ' 37' ' ' TYR . 5.0 tp -70.47 -21.69 62.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.51 47.93 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.166 -0.959 . . . . 0.0 109.954 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -106.51 7.23 30.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 0.0 110.632 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -111.27 -82.06 0.58 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.995 -1.066 . . . . 0.0 110.179 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -43.19 26.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.09 -1.007 . . . . 0.0 110.094 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.068 -0.967 . . . . 0.0 110.303 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.325 0.583 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.46 11.45 36.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.563 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 23' ' ' LEU . 17.4 mt -72.19 -42.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.029 -1.045 . . . . 0.0 110.182 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.92 -20.53 16.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.933 . . . . 0.0 110.172 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -94.28 -47.33 6.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.732 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.71 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.314 -0.866 . . . . 0.0 109.839 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.634 ' O ' HG22 ' C' ' 10' ' ' ILE . . . -75.49 -31.56 60.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.966 . . . . 0.0 109.305 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 45.6 t -64.88 -28.45 69.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 0.0 109.945 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -78.6 -39.91 36.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.115 -0.99 . . . . 0.0 110.281 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.634 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER -54.5 -33.44 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 109.501 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.835 HG11 HG23 ' A' ' 12' ' ' THR . 85.7 t -72.48 -43.62 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.56 -0.712 . . . . 0.0 109.982 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' C' ' 15' ' ' ILE . 45.0 t0 -52.74 -34.91 54.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 111.177 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.21 35.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 0.0 110.718 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.524 HG13 ' OG1' ' B' ' 19' ' ' THR . 75.4 t -75.37 -34.44 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 0.0 110.006 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.831 HG22 ' O ' ' C' ' 11' ' ' VAL . 2.6 tp -76.9 -21.08 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.0 110.14 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -75.26 -20.45 59.18 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 0.0 110.282 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -102.85 -20.52 14.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 0.0 110.611 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.76 ' HA ' HD11 ' B' ' 23' ' ' LEU . 5.1 p -79.21 -42.84 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 0.0 110.192 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.472 ' N ' ' CG1' ' C' ' 18' ' ' VAL . 0.1 OUTLIER -80.65 -32.45 36.14 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.392 -0.818 . . . . 0.0 110.31 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.28 63.55 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.288 -0.883 . . . . 0.0 110.402 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.98 -76.51 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.156 -0.965 . . . . 0.0 110.391 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.68 9.94 51.39 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . 51.01 47.22 25.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.964 -1.315 . . . . 0.0 110.478 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.175 0.512 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -129.79 -66.4 0.79 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 110.472 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.3 48.47 0.13 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.585 ' C ' HD12 ' A' ' 5' ' ' ILE . 21.7 m170 -116.68 91.95 3.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.375 -1.074 . . . . 0.0 110.068 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 5' ' ' ILE . 5.2 mp -130.77 85.08 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.136 -0.977 . . . . 0.0 110.669 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.699 ' C ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -114.56 21.69 14.29 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.306 -0.872 . . . . 0.0 110.084 179.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.699 HD12 ' C ' ' A' ' 6' ' ' GLN . 4.6 mp -146.04 90.35 5.81 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.569 -0.707 . . . . 0.0 109.589 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.28 111.75 2.99 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.601 1.316 . . . . 0.0 110.94 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -75.51 -163.02 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.296 0 O-C-N 123.689 1.363 . . . . 0.0 110.266 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.82 -39.91 2.98 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.84 ' HG ' HD13 ' A' ' 15' ' ' LEU . 12.7 tp -54.23 -25.98 26.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -1.206 . . . . 0.0 110.177 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.628 HG23 HG11 ' C' ' 11' ' ' VAL . 24.2 m -56.68 -62.74 1.52 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.217 -0.927 . . . . 0.0 110.192 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.17 -47.38 81.37 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.912 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD21 HG22 ' B' ' 31' ' ' VAL . 0.8 OUTLIER -55.25 -39.64 70.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 110.371 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.84 HD13 ' HG ' ' A' ' 11' ' ' LEU . 3.8 mp -73.95 -56.11 5.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 0.0 110.493 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.1 OUTLIER -52.74 -43.81 66.0 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 0.0 109.989 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.47 78.52 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.6 t80 -67.26 -49.18 65.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.555 -0.968 . . . . 0.0 109.783 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -51.85 -34.99 43.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.387 -0.82 . . . . 0.0 110.105 179.574 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.4 t -70.34 -74.48 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.387 -0.821 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -43.96 -44.14 7.01 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.546 -0.721 . . . . 0.0 111.52 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' TYR . 97.7 t -53.85 -46.04 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.936 -1.103 . . . . 0.0 110.194 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.675 HD11 ' HD2' ' B' ' 8' ' ' PRO . 0.1 OUTLIER -81.13 -17.48 49.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.242 -0.911 . . . . 0.0 110.459 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -88.7 -59.05 2.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 0.0 110.622 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -73.33 -28.17 61.92 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.19 -0.944 . . . . 0.0 110.146 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 51.65 68.87 2.86 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 0.0 110.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.41 164.7 34.84 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.699 1.368 . . . . 0.0 110.872 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.47 -39.4 5.19 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.804 1.423 . . . . 0.0 110.355 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -134.8 129.09 34.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 0.0 110.13 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.1 -40.3 65.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.153 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -50.65 -63.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 110.06 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.54 -35.16 73.67 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.497 -0.752 . . . . 0.0 110.134 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.18 -46.82 76.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.205 -0.934 . . . . 0.0 109.58 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.608 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.07 -37.68 61.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.804 . . . . 0.0 110.24 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.476 HG13 ' OG1' ' B' ' 39' ' ' THR . 86.8 t -69.38 -51.27 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 0.0 110.198 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.9 -44.65 82.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 110.733 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -62.86 -58.37 7.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.169 -0.957 . . . . 0.0 110.886 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -64.78 -43.88 91.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.184 -0.948 . . . . 0.0 110.973 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.518 ' OG1' HG13 ' B' ' 35' ' ' VAL . 79.7 m -56.37 -24.96 47.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.98 -1.075 . . . . 0.0 110.319 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -28.81 26.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 0.0 110.525 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -26.84 59.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.209 -0.932 . . . . 0.0 110.257 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' HB2' HG12 ' B' ' 31' ' ' VAL . 23.3 tpt180 -71.15 -25.42 62.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.189 -0.944 . . . . 0.0 109.434 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -92.35 -51.6 5.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 110.062 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.56 84.17 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.425 -0.797 . . . . 0.0 110.592 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.03 48.27 0.85 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.174 -0.954 . . . . 0.0 110.214 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.162 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 66.6 t60 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.23 0.538 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -45.88 0.15 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 0.0 110.131 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.95 -174.68 0.1 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.655 ' C ' HD12 ' B' ' 5' ' ' ILE . 4.9 m-70 -134.05 113.93 12.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -1.165 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.655 HD12 ' C ' ' B' ' 4' ' ' HIS . 5.0 mp -139.69 147.23 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 0.0 109.977 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.72 95.95 0.63 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.108 -0.995 . . . . 0.0 110.911 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.66 HG23 HD11 ' A' ' 23' ' ' LEU . 3.0 mp -87.71 144.55 35.36 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.675 ' HD2' HD11 ' A' ' 23' ' ' LEU . 43.2 Cg_endo -68.79 125.08 12.18 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.626 1.329 . . . . 0.0 110.565 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.78 169.98 21.1 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.494 1.26 . . . . 0.0 110.365 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.86 -24.41 26.49 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.02 -35.45 76.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -1.155 . . . . 0.0 110.195 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -71.74 -34.01 69.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -65.25 -61.07 2.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.861 . . . . 0.0 110.051 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.3 -40.19 58.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 0.0 110.226 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 15' ' ' LEU . 0.7 OUTLIER -61.67 -49.06 78.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 110.191 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CA ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -49.42 -35.6 19.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.167 -0.958 . . . . 0.0 110.111 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.85 -40.64 99.49 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.58 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.2 t80 -68.46 -54.33 17.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.42 -1.047 . . . . 0.0 109.971 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.674 ' OG1' HG13 ' C' ' 14' ' ' VAL . 38.0 m -47.97 -33.26 7.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.365 -0.834 . . . . 0.0 110.257 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.16 -72.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 0.0 109.726 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.59 -41.05 29.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.239 -0.913 . . . . 0.0 110.624 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 18' ' ' TYR . 64.0 t -56.29 -44.41 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 0.0 109.838 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.35 -30.07 33.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.359 -0.838 . . . . 0.0 110.16 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -61.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 0.0 110.167 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.12 -28.44 61.35 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.34 -0.85 . . . . 0.0 109.696 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 50.53 62.71 11.17 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.45 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.68 162.71 41.56 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.806 1.424 . . . . 0.0 110.61 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.88 -28.61 16.3 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.598 1.315 . . . . 0.0 110.681 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' B' ' 29' ' ' ASP . 33.0 p-10 -138.06 138.37 38.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 0.0 110.715 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.791 HD22 HD13 ' A' ' 11' ' ' LEU . 1.1 mt -89.99 -33.32 16.41 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.258 -0.902 . . . . 0.0 109.946 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.484 ' O ' HG23 ' B' ' 35' ' ' VAL . 35.6 t -52.6 -63.64 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.457 -0.777 . . . . 0.0 109.976 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.4 -42.66 99.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.402 -0.811 . . . . 0.0 109.931 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -59.35 -53.67 55.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.646 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -50.94 -40.69 57.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.394 -0.816 . . . . 0.0 110.354 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.518 HG13 ' OG1' ' A' ' 39' ' ' THR . 94.9 t -66.91 -47.4 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.936 . . . . 0.0 110.062 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.02 -31.17 72.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.146 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -74.39 -58.75 3.09 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.931 . . . . 0.0 110.023 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.39 -50.22 73.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 0.0 110.48 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' HG13 ' A' ' 35' ' ' VAL . 56.5 m -49.52 -44.95 46.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.163 -0.961 . . . . 0.0 110.507 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -64.61 -26.5 68.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.167 -0.958 . . . . 0.0 110.032 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -38.02 80.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.219 -0.925 . . . . 0.0 110.224 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -18.42 59.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -112.47 -46.48 3.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 0.0 110.392 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.29 34.84 12.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.268 -0.895 . . . . 0.0 110.422 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -61.95 -58.72 6.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.241 -0.912 . . . . 0.0 110.42 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.239 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' C' ' 3' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.258 0.551 . . . . 0.0 110.268 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt 53.92 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.0 110.234 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.642 HG12 HD22 ' A' ' 23' ' ' LEU . 4.1 mt -57.57 -39.65 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.82 -1.175 . . . . 0.0 109.787 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.54 -20.67 21.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.376 -0.828 . . . . 0.0 110.236 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -94.76 -46.77 6.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.0 110.044 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.8 -30.35 68.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.206 -0.934 . . . . 0.0 109.946 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 19' ' ' THR . . . -75.84 -21.38 57.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 109.82 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -42.07 49.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 0.0 109.913 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -67.52 -39.44 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.93 . . . . 0.0 110.068 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' C' ' 11' ' ' VAL . 0.1 OUTLIER -56.11 -45.32 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 0.0 109.403 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.656 HG12 HD11 ' C' ' 15' ' ' ILE . 67.2 t -62.65 -28.43 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.157 -0.965 . . . . 0.0 109.973 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.97 -33.8 76.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 110.437 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.407 ' O ' ' NE2' ' C' ' 17' ' ' GLN . . . -71.68 -40.54 69.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 110.437 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.674 HG13 ' OG1' ' B' ' 19' ' ' THR . 38.9 t -67.44 -36.9 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.958 . . . . 0.0 109.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.656 HD11 HG12 ' C' ' 11' ' ' VAL . 51.9 mt -65.82 -29.47 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.071 -1.018 . . . . 0.0 109.907 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.02 -40.85 78.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.888 . . . . 0.0 110.192 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' C' ' 13' ' ' ALA . 0.0 OUTLIER -62.53 -49.06 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 0.0 110.227 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 7' ' ' ILE . 96.9 t -57.55 -30.3 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 0.0 110.219 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -100.77 14.5 31.45 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.881 . . . . 0.0 110.582 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.64 -15.81 21.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.073 -1.017 . . . . 0.0 110.49 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.15 71.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.169 -0.957 . . . . 0.0 110.493 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.28 -83.21 0.34 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.13 80.88 0.84 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.265 -1.138 . . . . 0.0 110.22 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.29 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.253 0.549 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -156.45 84.79 0.98 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.91 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.66 -25.97 5.77 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -100.9 -158.19 0.66 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.316 -1.108 . . . . 0.0 110.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 5' ' ' ILE . 5.0 mp -114.69 139.74 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.158 -0.964 . . . . 0.0 110.374 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.36 -160.7 1.0 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.323 -0.861 . . . . 0.0 109.88 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -59.31 113.44 6.99 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.102 -0.999 . . . . 0.0 109.462 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.28 128.63 13.97 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.532 1.28 . . . . 0.0 110.701 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -79.14 168.83 19.94 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.578 1.304 . . . . 0.0 110.374 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.35 -18.98 46.97 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HG ' HD13 ' A' ' 15' ' ' LEU . 14.4 tp -53.84 -32.78 54.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -1.21 . . . . 0.0 110.463 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 HG11 ' C' ' 11' ' ' VAL . 26.3 m -53.41 -57.56 10.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 0.0 110.292 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.31 -26.14 62.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 0.0 110.337 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -77.06 -55.94 5.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.332 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.665 ' CD2' HG11 ' C' ' 14' ' ' VAL . 9.5 mp -72.27 -58.09 3.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.465 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.561 ' HG2' ' HB1' ' C' ' 7' ' ' ALA . 0.0 OUTLIER -50.87 -45.71 60.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.147 -0.971 . . . . 0.0 110.213 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -54.83 -38.75 65.49 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.5 t80 -63.86 -26.55 68.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -1.056 . . . . 0.0 109.506 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.598 ' CG2' ' HB2' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -77.56 -28.9 51.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.478 -0.764 . . . . 0.0 110.046 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 43.1 t -78.3 -22.08 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.837 . . . . 0.0 110.697 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -91.63 -53.31 4.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.096 -1.002 . . . . 0.0 109.341 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' TYR . 62.0 t -52.12 -40.25 29.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.488 -0.757 . . . . 0.0 110.368 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.521 HD11 HD12 ' B' ' 7' ' ' ILE . 0.2 OUTLIER -77.9 -38.16 46.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.969 . . . . 0.0 110.042 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.7 OUTLIER -69.24 -23.43 63.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.16 -0.962 . . . . 0.0 110.209 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 1.5 pt20 -142.41 66.06 1.34 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 110.343 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.76 98.09 0.15 Allowed Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.983 -0.448 . . . . 0.0 111.543 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -75.19 164.69 32.53 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.936 1.493 . . . . 0.0 110.442 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.17 -29.4 17.51 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.789 1.415 . . . . 0.0 110.354 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -148.67 123.9 10.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.912 . . . . 0.0 110.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD23 ' HG ' ' B' ' 14' ' ' LEU . 4.2 tp -68.16 -39.45 82.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.0 109.914 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 31' ' ' VAL . 40.3 t -52.52 -61.58 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.251 -0.906 . . . . 0.0 109.959 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -61.77 -35.53 78.4 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 0.0 110.15 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 90.3 t80 -68.28 -37.13 80.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.218 -0.926 . . . . 0.0 109.744 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -61.24 -34.31 74.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.308 -0.87 . . . . 0.0 110.073 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG13 ' OG1' ' B' ' 39' ' ' THR . 96.1 t -75.69 -50.97 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 O-C-N 121.238 -0.914 . . . . 0.0 110.339 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -37.13 65.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.831 . . . . 0.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -74.8 -63.39 1.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.174 -0.954 . . . . 0.0 110.465 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' HB3' ' CG2' ' B' ' 35' ' ' VAL . 3.4 m-85 -54.8 -43.06 72.54 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 0.0 110.544 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.52 ' OG1' HG13 ' B' ' 35' ' ' VAL . 36.1 m -59.54 -38.76 81.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.996 -1.065 . . . . 0.0 109.758 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.46 -27.54 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 0.0 109.838 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' HB3' HG13 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -69.45 -33.17 72.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 109.889 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' CD ' ' OD1' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -68.13 -30.06 69.12 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.263 -0.898 . . . . 0.0 109.682 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.17 -25.97 64.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 0.0 109.908 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.52 18.47 12.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.329 -0.857 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' HE ' HG21 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -70.27 87.09 0.6 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.277 -0.889 . . . . 0.0 110.141 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.251 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 40.7 m80 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.215 0.531 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -57.02 113.09 1.54 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 0.0 110.267 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.73 130.82 40.14 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.42 -59.66 1.87 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.184 -1.186 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.643 ' O ' HG23 ' B' ' 5' ' ' ILE . 5.6 tp -109.9 85.17 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.915 . . . . 0.0 110.309 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -128.55 158.44 38.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.242 -0.912 . . . . 0.0 110.109 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.572 ' O ' HG23 ' B' ' 7' ' ' ILE . 1.0 OUTLIER -53.82 122.53 34.49 Favored Pre-proline 0 C--N 1.305 -1.344 0 O-C-N 121.21 -0.931 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.4 142.67 37.43 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.589 1.31 . . . . 0.0 110.516 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.7 152.14 47.36 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.683 1.359 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.15 -31.14 6.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.52 -37.14 62.52 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -1.176 . . . . 0.0 110.135 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -62.29 -51.07 69.15 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -0.914 . . . . 0.0 110.016 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.57 -43.19 97.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.381 -0.824 . . . . 0.0 109.962 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 14' ' ' LEU . 0.6 OUTLIER -55.57 -52.78 62.6 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 0.0 110.038 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.15 -40.8 94.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.242 -0.911 . . . . 0.0 110.067 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -43.76 67.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 0.0 109.957 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -56.65 -55.77 28.19 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.94 ' O ' HG23 ' B' ' 22' ' ' VAL . 25.2 t80 -54.93 -43.02 72.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -1.167 . . . . 0.0 110.28 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 13.8 m -57.59 -52.34 65.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.309 -0.87 . . . . 0.0 110.619 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.72 -23.99 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.188 -0.945 . . . . 0.0 110.356 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.45 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -89.83 -44.3 10.04 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.091 -1.006 . . . . 0.0 108.98 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.94 HG23 ' O ' ' B' ' 18' ' ' TYR . 45.5 t -53.44 -24.54 9.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.782 -0.574 . . . . 0.0 110.19 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.552 HD21 HG22 ' C' ' 18' ' ' VAL . 4.2 mm? -89.77 -49.65 6.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 110.119 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -71.01 0.14 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.891 . . . . 0.0 110.442 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.168 -0.958 . . . . 0.0 110.681 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 54.28 63.25 7.68 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.119 -0.988 . . . . 0.0 109.729 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.66 159.36 51.19 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.592 1.312 . . . . 0.0 110.662 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.19 -26.64 20.89 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.818 1.43 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -147.95 144.28 27.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 0.0 110.198 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 34' ' ' ALA . 0.8 OUTLIER -89.03 -23.76 22.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.254 -0.904 . . . . 0.0 110.287 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.463 ' O ' HG23 ' B' ' 35' ' ' VAL . 40.8 t -53.7 -64.06 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.184 -0.947 . . . . 0.0 110.015 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 42' ' ' ARG . 7.8 t0 -64.33 -48.2 76.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.506 -0.746 . . . . 0.0 109.841 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.418 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 29.4 t80 -54.67 -52.04 63.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.0 109.778 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' B' ' 30' ' ' LEU . . . -50.22 -44.26 53.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.396 -0.815 . . . . 0.0 110.486 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.52 HG13 ' OG1' ' A' ' 39' ' ' THR . 97.0 t -62.78 -38.48 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 121.129 -0.982 . . . . 0.0 110.075 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -71.06 -29.63 65.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 0.0 110.341 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -73.28 -71.33 0.31 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.0 110.457 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.495 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 20.2 m-85 -50.13 -50.09 49.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 0.0 110.611 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.546 ' OG1' HG13 ' A' ' 35' ' ' VAL . 53.4 m -51.67 -35.14 41.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.09 -1.007 . . . . 0.0 109.956 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.91 -43.49 68.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 0.0 109.952 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -39.14 71.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.295 -0.878 . . . . 0.0 110.083 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.424 ' O ' ' NH2' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.02 -51.27 62.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.888 . . . . 0.0 110.169 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.13 -43.16 22.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.167 -0.958 . . . . 0.0 110.012 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' B' ' 46' ' ' ARG . . . 48.48 55.91 8.27 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.301 -0.875 . . . . 0.0 110.545 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.5 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.364 -0.835 . . . . 0.0 110.68 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.021 -1.05 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.2 0.524 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' C' ' 5' ' ' GLU . 0.2 OUTLIER -92.16 -24.01 19.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.169 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.405 ' CG1' HD22 ' A' ' 23' ' ' LEU . 2.7 mp -54.97 -54.98 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -0.949 . . . . 0.0 110.072 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -13.09 58.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 110.418 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . 0.541 ' HB3' HD13 ' C' ' 2' ' ' LEU . 16.9 tt0 -96.46 -42.31 8.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.964 . . . . 0.0 109.734 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . 0.675 ' O ' HD13 ' C' ' 10' ' ' ILE . . . -70.35 -33.14 71.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 0.0 109.582 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.598 ' HB2' ' CG2' ' A' ' 19' ' ' THR . . . -75.11 -24.49 58.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.945 . . . . 0.0 109.42 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -38.51 78.74 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.379 -0.826 . . . . 0.0 109.798 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -69.46 -36.79 76.93 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.153 -0.967 . . . . 0.0 109.668 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.675 HD13 ' O ' ' C' ' 6' ' ' ALA . 1.2 mp -53.61 -44.8 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.281 -0.887 . . . . 0.0 108.75 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.652 ' O ' HG23 ' C' ' 15' ' ' ILE . 98.7 t -59.37 -49.81 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.397 -0.814 . . . . 0.0 109.763 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.54 -31.71 71.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 0.0 110.784 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.01 -21.92 25.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 110.722 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.691 ' O ' HG23 ' C' ' 18' ' ' VAL . 89.8 t -90.58 -27.08 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.025 -1.047 . . . . 0.0 109.635 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.652 HG23 ' O ' ' C' ' 11' ' ' VAL . 2.0 pp -85.66 -24.91 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.295 -0.878 . . . . 0.0 109.762 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' C' ' 20' ' ' ALA . 1.2 mt-10 -60.97 -34.99 75.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.45 -41.13 18.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.322 -0.861 . . . . 0.0 109.916 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.691 HG23 ' O ' ' C' ' 14' ' ' VAL . 57.8 t -58.84 -27.92 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 110.058 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -104.89 12.96 31.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.308 -0.87 . . . . 0.0 110.464 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' C' ' 16' ' ' GLU . . . -114.31 -25.32 8.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.087 -1.008 . . . . 0.0 110.234 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.97 79.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.248 -0.907 . . . . 0.0 110.069 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.28 -103.76 0.24 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.97 23.42 1.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -1.154 . . . . 0.0 110.321 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.198 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.208 0.528 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -173.95 -173.05 0.78 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.34 -0.85 . . . . 0.0 110.347 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.95 -87.9 0.11 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 13.5 10.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -1.145 . . . . 0.0 110.431 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.574 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.7 OUTLIER -125.07 120.57 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.161 -0.962 . . . . 0.0 109.807 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.97 153.86 14.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.065 -1.022 . . . . 0.0 110.56 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -119.94 133.96 23.94 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 0.0 109.807 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.03 112.94 3.68 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.476 1.251 . . . . 0.0 110.752 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -82.35 173.66 10.53 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.549 1.289 . . . . 0.0 110.231 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.68 7.97 61.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.61 -34.08 25.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.902 -1.352 . . . . 0.0 109.946 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.5 m -53.92 -67.81 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -0.851 . . . . 0.0 110.498 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.01 -36.02 37.2 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 0.0 110.668 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.14 -55.55 10.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.086 -1.009 . . . . 0.0 110.421 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -59.0 -53.05 62.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.88 . . . . 0.0 110.453 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -28.3 13.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.221 -0.924 . . . . 0.0 110.191 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.37 -49.22 66.86 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.541 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.3 t80 -58.43 -49.64 76.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -1.095 . . . . 0.0 109.809 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.618 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -48.11 -39.37 20.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.331 -0.855 . . . . 0.0 110.447 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.27 -77.26 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 0.0 110.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.48 -44.79 17.87 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.425 -0.797 . . . . 0.0 111.157 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 18' ' ' TYR . 65.3 t -53.2 -35.29 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.927 -1.108 . . . . 0.0 109.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' C' ' 3' ' ' ILE . 1.1 mt -84.61 -25.91 28.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.083 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -60.1 2.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.83 . . . . 0.0 110.214 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.1 -31.69 63.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 110.166 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 50.41 58.68 17.07 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.264 -0.897 . . . . 0.0 110.337 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -71.55 156.47 57.86 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.717 1.377 . . . . 0.0 110.438 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.46 -14.51 30.83 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.652 1.343 . . . . 0.0 110.577 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.73 123.82 4.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.103 -0.998 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 30' ' ' LEU . 4.6 mp -72.97 -29.42 63.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.216 -0.927 . . . . 0.0 109.992 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.534 HG12 ' CD ' ' B' ' 42' ' ' ARG . 20.0 t -56.18 -60.26 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.458 -0.776 . . . . 0.0 109.47 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.77 -44.28 86.28 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.476 -0.765 . . . . 0.0 109.532 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 31.5 t80 -57.69 -49.84 75.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.446 -0.784 . . . . 0.0 109.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.01 -38.73 62.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 0.0 109.963 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 31' ' ' VAL . 79.0 t -68.27 -48.51 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.364 -0.835 . . . . 0.0 110.1 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.27 -24.35 67.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.193 -0.942 . . . . 0.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -79.2 -67.93 0.71 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.147 -0.97 . . . . 0.0 110.218 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -55.43 -47.41 76.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 0.0 110.474 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.47 ' OG1' HG13 ' B' ' 35' ' ' VAL . 91.0 m -53.22 -50.18 65.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 110.212 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -64.57 -20.24 66.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.243 -0.911 . . . . 0.0 110.069 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.24 -47.79 80.95 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 109.996 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.517 ' HD2' HG11 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -47.77 -27.85 2.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.329 -0.857 . . . . 0.0 110.893 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.48 -24.05 24.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.2 -0.937 . . . . 0.0 110.355 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.33 51.03 1.28 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.28 -0.887 . . . . 0.0 110.154 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.86 -21.93 10.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.189 -0.944 . . . . 0.0 110.387 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.351 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 t60 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.326 0.584 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.99 125.78 21.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.199 -0.938 . . . . 0.0 110.126 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.87 -138.34 3.66 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.83 35.26 4.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.307 -1.113 . . . . 0.0 110.206 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.614 ' O ' HG23 ' B' ' 5' ' ' ILE . 1.0 OUTLIER -122.37 61.25 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.0 110.203 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.53 ' O ' HD13 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -130.07 -169.63 2.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.265 -0.897 . . . . 0.0 110.451 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.53 HD13 ' O ' ' B' ' 6' ' ' GLN . 42.5 mm -131.97 144.35 52.84 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.371 -0.831 . . . . 0.0 109.942 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' B' ' 7' ' ' ILE . 44.5 Cg_endo -71.25 111.38 3.07 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.534 1.281 . . . . 0.0 110.441 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.21 179.41 4.5 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.54 1.284 . . . . 0.0 110.352 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.42 3.45 71.27 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.7 tp -87.64 -36.44 17.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.877 -1.366 . . . . 0.0 110.135 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 86.5 m -67.03 -35.57 80.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.231 -0.918 . . . . 0.0 110.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.05 -56.11 11.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.366 -0.834 . . . . 0.0 110.395 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -43.55 77.6 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 0.0 110.292 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.62 -42.03 92.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.884 . . . . 0.0 110.41 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.66 -36.92 57.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.925 -1.11 . . . . 0.0 109.754 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 21' ' ' GLU . . . -60.53 -53.16 47.78 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.422 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 9.4 t80 -59.6 -40.2 86.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -1.097 . . . . 0.0 110.243 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.838 ' OG1' HG13 ' C' ' 14' ' ' VAL . 90.1 m -49.31 -62.93 1.27 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.224 -0.922 . . . . 0.0 109.544 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.94 -42.4 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' B' ' 37' ' ' TYR . 1.2 tt0 -51.56 -64.87 0.67 Allowed 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.572 0.701 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.09 -27.97 2.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.62 -0.675 . . . . 0.0 110.844 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.913 HD11 ' HA ' ' C' ' 18' ' ' VAL . 21.1 mt -84.6 -52.67 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.108 -0.995 . . . . 0.0 110.38 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -41.6 84.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 0.0 110.503 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.409 ' HB3' ' HD3' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -85.81 -36.72 19.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 0.0 110.316 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 2.4 tt0 51.96 54.47 14.26 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.26 -0.9 . . . . 0.0 110.124 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 49.5 Cg_endo -74.39 150.69 41.73 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.761 1.401 . . . . 0.0 110.597 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.81 -32.72 13.73 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.739 1.389 . . . . 0.0 110.329 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -116.56 120.44 38.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 110.131 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.49 -41.04 18.46 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.365 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.517 HG11 ' HD2' ' A' ' 42' ' ' ARG . 41.0 t -52.19 -66.05 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.242 -0.911 . . . . 0.0 109.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -38.17 71.09 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.396 -0.815 . . . . 0.0 109.702 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.413 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 26.1 t80 -62.76 -50.86 69.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.364 -0.835 . . . . 0.0 109.669 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.76 -37.77 68.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.321 -0.862 . . . . 0.0 110.09 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.47 HG13 ' OG1' ' A' ' 39' ' ' THR . 80.4 t -67.38 -43.47 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.358 -0.839 . . . . 0.0 110.25 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.74 -32.85 73.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 110.673 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 41.1 t80 -75.71 -67.15 0.7 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.123 -0.985 . . . . 0.0 110.704 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.24 -48.41 62.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.167 -0.958 . . . . 0.0 110.413 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -52.38 -50.33 62.65 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.256 -0.902 . . . . 0.0 110.247 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -63.01 -31.2 72.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 0.0 110.214 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -42.72 67.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 109.939 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.534 ' CD ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -52.0 -37.49 53.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.892 . . . . 0.0 110.366 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.8 -21.62 44.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.07 85.53 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.185 -0.947 . . . . 0.0 110.083 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -126.61 120.89 30.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.0 110.101 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 19.8 t0 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.166 0.507 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mp -119.71 -29.71 4.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.257 -0.902 . . . . 0.0 110.374 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.545 ' H ' HD12 ' C' ' 3' ' ' ILE . 3.3 mp -74.43 -36.06 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 110.232 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -15.0 62.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.199 -0.938 . . . . 0.0 110.558 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.75 -41.89 7.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 0.0 109.996 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.05 63.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.28 -0.888 . . . . 0.0 109.788 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.647 ' O ' HG23 ' C' ' 11' ' ' VAL . . . -78.53 -20.0 51.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 109.652 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -35.63 48.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 0.0 110.069 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -82.75 -43.57 16.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 110.08 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.486 HG23 ' N ' ' C' ' 11' ' ' VAL . 12.3 tt -53.29 -42.05 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.1 -1.0 . . . . 0.0 109.603 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.647 HG23 ' O ' ' C' ' 7' ' ' ALA . 87.8 t -64.82 -44.62 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 0.0 109.324 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.54 -42.81 44.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.353 -0.842 . . . . 0.0 110.381 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.4 91.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.246 -0.908 . . . . 0.0 110.108 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.838 HG13 ' OG1' ' B' ' 19' ' ' THR . 40.9 t -71.72 -39.21 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 0.0 109.877 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.447 ' N ' HD12 ' C' ' 15' ' ' ILE . 1.6 mp -75.49 -21.71 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.123 -0.985 . . . . 0.0 109.476 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' C' ' 20' ' ' ALA . 0.3 OUTLIER -60.69 -46.3 90.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 0.0 110.022 179.777 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' C' ' 21' ' ' ALA . 0.4 OUTLIER -74.56 -37.88 62.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.32 -0.862 . . . . 0.0 110.17 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.913 ' HA ' HD11 ' B' ' 23' ' ' LEU . 95.2 t -57.81 -48.31 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.373 -0.83 . . . . 0.0 110.076 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -79.99 -20.57 45.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.298 -0.876 . . . . 0.0 110.35 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' C' ' 16' ' ' GLU . . . -108.86 42.08 1.48 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.254 -0.904 . . . . 0.0 110.378 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' C' ' 17' ' ' GLN . . . -127.74 -40.53 1.73 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.172 -0.955 . . . . 0.0 110.174 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.69 105.95 0.6 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -168.25 -40.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -1.088 . . . . 0.0 110.259 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.7 m170 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.269 0.557 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.1 mmt -99.22 168.74 9.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.932 . . . . 0.0 110.063 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.67 90.14 0.08 OUTLIER Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.538 ' C ' HD12 ' A' ' 5' ' ' ILE . 1.9 t60 -101.66 41.89 1.17 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -1.148 . . . . 0.0 110.004 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.67 ' N ' HD12 ' A' ' 5' ' ' ILE . 4.6 mp -122.92 142.92 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.24 -0.913 . . . . 0.0 110.288 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.75 58.43 1.31 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 109.661 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.519 HD13 HD21 ' B' ' 23' ' ' LEU . 1.7 tp -69.59 130.8 90.2 Favored Pre-proline 0 C--N 1.306 -1.303 0 O-C-N 121.343 -0.848 . . . . 0.0 110.386 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -76.15 122.78 6.83 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.539 1.284 . . . . 0.0 110.089 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.03 169.85 19.52 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.392 1.206 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.04 -26.89 9.51 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -37.17 79.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -1.163 . . . . 0.0 110.387 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.615 HG23 ' CG1' ' C' ' 11' ' ' VAL . 98.1 m -56.31 -55.79 29.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.24 -0.913 . . . . 0.0 110.2 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -47.31 64.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.302 -0.874 . . . . 0.0 110.216 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.12 -50.54 72.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.0 110.126 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.798 HD21 HD12 ' B' ' 15' ' ' LEU . 1.2 mp -62.16 -51.15 68.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.994 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' HG3' HG21 ' C' ' 11' ' ' VAL . 1.9 tt0 -51.13 -41.91 60.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.246 -0.909 . . . . 0.0 110.188 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -58.04 -52.66 51.05 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.637 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.6 t80 -55.1 -25.36 30.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -1.113 . . . . 0.0 110.059 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.527 ' CG2' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -70.9 -38.36 73.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 0.0 110.349 -179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 59.4 t -73.91 -17.95 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.12 -0.988 . . . . 0.0 110.602 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 1.2 mt-10 -89.88 -49.12 6.8 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.032 -1.043 . . . . 0.0 108.927 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.716 HG11 HD11 ' B' ' 11' ' ' LEU . 76.3 t -51.97 -33.5 16.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.597 -0.689 . . . . 0.0 110.109 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.756 HD13 HG23 ' C' ' 3' ' ' ILE . 0.3 OUTLIER -87.44 -44.42 11.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -0.901 . . . . 0.0 110.161 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -61.96 -55.49 28.86 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.153 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.44 -34.03 65.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.288 -0.882 . . . . 0.0 110.095 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 52.2 55.52 14.98 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 0.0 110.182 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 26' ' ' GLN . 44.8 Cg_endo -71.17 152.38 61.86 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.709 1.373 . . . . 0.0 110.446 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.35 -24.14 23.17 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.754 1.397 . . . . 0.0 110.337 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -128.94 122.05 29.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.84 -37.01 30.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.263 -0.898 . . . . 0.0 109.884 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 t -53.56 -64.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.335 -0.853 . . . . 0.0 109.762 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.5 -38.12 71.32 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.504 -0.747 . . . . 0.0 109.946 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.52 -48.79 76.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 109.947 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.14 -30.72 64.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.391 -0.818 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.648 HG13 ' OG1' ' B' ' 39' ' ' THR . 91.2 t -74.78 -36.67 40.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.242 -0.912 . . . . 0.0 110.39 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.48 -31.68 62.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.205 -0.934 . . . . 0.0 110.538 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 24.2 t80 -75.68 -66.71 0.75 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 0.0 110.51 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -49.54 -47.75 48.83 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.25 -0.906 . . . . 0.0 110.545 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.553 ' OG1' HG13 ' B' ' 35' ' ' VAL . 27.8 m -53.47 -42.44 67.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.078 -1.014 . . . . 0.0 109.921 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -68.6 -37.73 80.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.179 -0.951 . . . . 0.0 110.006 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.15 -24.8 67.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 0.0 110.158 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -69.94 -25.54 63.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.261 -0.899 . . . . 0.0 109.551 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.69 -39.95 5.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.352 -0.842 . . . . 0.0 109.83 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.86 45.48 27.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.416 -0.802 . . . . 0.0 110.39 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.13 80.31 0.11 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.256 -0.903 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.226 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.304 0.573 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -115.36 172.29 7.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 110.189 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.62 163.71 13.04 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.581 ' C ' HD12 ' B' ' 5' ' ' ILE . 0.4 OUTLIER -134.44 24.81 3.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.227 -1.161 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.581 HD12 ' C ' ' B' ' 4' ' ' HIS . 4.6 mp -132.19 86.35 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.171 -0.955 . . . . 0.0 110.189 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.95 170.41 9.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.075 -1.016 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -106.73 117.58 56.46 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 110.121 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.18 129.86 16.74 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.477 1.251 . . . . 0.0 110.335 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.03 174.36 12.11 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.514 1.271 . . . . 0.0 110.536 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.35 -27.49 13.8 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.716 HD11 HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -65.43 -45.18 84.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.222 -1.163 . . . . 0.0 110.291 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.5 m -67.37 -36.07 80.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.18 -0.95 . . . . 0.0 110.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -59.56 -46.31 89.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.373 -0.829 . . . . 0.0 110.447 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -49.15 66.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 0.0 110.348 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.798 HD12 HD21 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -57.93 -34.2 69.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.194 -0.941 . . . . 0.0 110.334 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -53.68 55.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.076 -1.015 . . . . 0.0 109.961 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.98 55.3 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.102 -1.599 . . . . 0.0 109.102 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.565 ' O ' HG23 ' B' ' 22' ' ' VAL . 40.1 t80 -67.73 -47.49 69.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.521 -0.988 . . . . 0.0 109.449 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.403 ' OG1' HG13 ' C' ' 14' ' ' VAL . 93.2 m -50.5 -30.76 13.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.809 . . . . 0.0 110.094 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.02 -72.07 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.416 -0.803 . . . . 0.0 109.955 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 22' ' ' VAL . 9.5 pt-20 -47.32 -35.3 7.82 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.861 . . . . 0.0 110.746 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 18' ' ' TYR . 41.7 t -56.58 -46.29 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.93 . . . . 0.0 109.846 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.697 HD11 ' O ' ' C' ' 18' ' ' VAL . 6.2 mt -78.68 -22.52 46.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 0.0 110.25 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' B' ' 21' ' ' GLU . 11.4 mmt180 -81.52 -67.21 0.8 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 0.0 110.211 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.415 ' HB3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -54.92 -29.59 56.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.125 -0.984 . . . . 0.0 109.982 179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 51.16 55.52 16.28 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 0.0 110.504 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' B' ' 25' ' ' GLN . 46.9 Cg_endo -73.62 151.25 46.63 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.631 1.332 . . . . 0.0 110.338 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.01 -46.63 1.06 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.666 1.35 . . . . 0.0 109.913 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' B' ' 29' ' ' ASP . 30.6 p-10 -111.94 119.13 37.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.403 -0.81 . . . . 0.0 109.842 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -33.28 64.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.264 -0.898 . . . . 0.0 110.598 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.461 ' O ' HG23 ' B' ' 35' ' ' VAL . 46.6 t -50.67 -65.93 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 0.0 110.112 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.4 ' HB2' ' OD2' ' B' ' 29' ' ' ASP . 8.0 t0 -53.78 -39.38 65.37 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.538 -0.726 . . . . 0.0 110.014 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.403 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 20.6 t80 -61.33 -55.34 32.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.237 -0.914 . . . . 0.0 109.599 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.503 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -52.71 -34.19 51.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.803 . . . . 0.0 110.169 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.553 HG13 ' OG1' ' A' ' 39' ' ' THR . 97.8 t -73.17 -39.95 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.213 -0.929 . . . . 0.0 110.393 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -70.16 -37.89 75.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.198 -0.939 . . . . 0.0 110.54 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -70.37 -66.85 0.55 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.214 -0.929 . . . . 0.0 110.492 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -49.09 -47.58 45.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.87 . . . . 0.0 110.708 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.648 ' OG1' HG13 ' A' ' 35' ' ' VAL . 27.1 m -56.31 -38.88 71.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -31.24 51.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.2 -0.938 . . . . 0.0 110.251 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.03 83.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 0.0 110.237 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -20.91 63.84 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.204 -0.935 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -121.38 14.59 11.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 110.401 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.74 -39.23 68.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 0.0 110.131 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -164.57 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.889 . . . . 0.0 110.159 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.302 0.573 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.61 -22.67 23.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.274 -0.891 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.756 HG23 HD13 ' A' ' 23' ' ' LEU . 35.0 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.0 109.887 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.88 -23.06 6.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 110.166 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.32 -55.12 3.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.713 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.89 81.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.265 -0.897 . . . . 0.0 109.698 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.628 ' O ' HG22 ' C' ' 10' ' ' ILE . . . -68.17 -43.46 78.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -0.921 . . . . 0.0 109.269 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 27.2 t -53.53 -29.2 35.52 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.818 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -43.18 73.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.204 -0.935 . . . . 0.0 110.254 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.628 HG22 ' O ' ' C' ' 7' ' ' ALA . 0.6 OUTLIER -52.95 -34.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.116 -0.99 . . . . 0.0 109.765 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.615 ' CG1' HG23 ' A' ' 12' ' ' THR . 93.9 t -69.47 -38.55 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.464 -0.772 . . . . 0.0 109.736 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.3 -39.59 93.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.564 -0.71 . . . . 0.0 110.733 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.25 -23.1 38.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.943 . . . . 0.0 110.737 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 15' ' ' LEU . 69.6 t -89.77 -25.31 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.023 -1.048 . . . . 0.0 109.622 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.599 HG22 ' O ' ' C' ' 11' ' ' VAL . 5.0 tt -85.28 -20.42 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.42 -0.8 . . . . 0.0 109.913 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -70.51 -23.66 62.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' C' ' 21' ' ' ALA . 56.3 mt-30 -101.92 -43.43 5.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.275 -0.891 . . . . 0.0 110.892 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.697 ' O ' HD11 ' B' ' 23' ' ' LEU . 5.8 p -51.03 -42.07 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.095 -1.003 . . . . 0.0 110.558 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.474 ' N ' ' CG1' ' C' ' 18' ' ' VAL . 29.5 tttt -79.47 -24.77 42.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.464 -0.773 . . . . 0.0 110.245 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.45 32.12 5.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.0 110.311 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' C' ' 17' ' ' GLN . . . -116.29 -23.45 8.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.2 -0.937 . . . . 0.0 110.285 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.29 -33.04 81.32 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.22 15.0 30.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.138 -1.213 . . . . 0.0 110.419 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.379 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.155 0.503 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -63.99 1.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.14 -0.975 . . . . 0.0 110.118 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.35 -123.06 6.65 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -136.25 125.95 25.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.336 -1.097 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.695 ' N ' HD12 ' A' ' 5' ' ' ILE . 5.3 mp -118.95 77.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.937 . . . . 0.0 110.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -110.99 28.24 8.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.18 -0.95 . . . . 0.0 110.076 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.618 HG23 HG12 ' C' ' 18' ' ' VAL . 4.2 mp -132.28 118.31 16.04 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.375 -0.828 . . . . 0.0 109.86 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.45 112.06 3.37 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.378 1.199 . . . . 0.0 110.688 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -75.38 171.92 17.32 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.566 1.298 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.57 -2.85 85.01 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.904 -1.141 . . . . 0.0 110.305 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.67 -20.11 57.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.886 -1.361 . . . . 0.0 110.414 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.587 HG23 HG11 ' C' ' 11' ' ' VAL . 27.3 m -73.46 -62.51 1.46 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 0.0 110.251 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.72 -22.76 9.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 0.0 110.384 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.95 -57.46 3.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.142 -0.974 . . . . 0.0 110.19 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.94 -55.51 34.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 0.0 110.008 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.473 ' HG3' HG21 ' C' ' 11' ' ' VAL . 0.0 OUTLIER -51.28 -44.26 61.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.296 -0.877 . . . . 0.0 109.962 179.647 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -57.38 -48.05 83.44 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 22' ' ' VAL . 33.5 t80 -58.73 -27.02 64.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.48 -1.012 . . . . 0.0 110.232 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.578 ' HB ' ' HB1' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -69.7 -39.28 76.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 110.163 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.51 -26.63 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.071 -1.018 . . . . 0.0 110.511 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -77.92 -54.32 6.44 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.135 -0.978 . . . . 0.0 108.702 179.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.884 HG11 HD21 ' A' ' 30' ' ' LEU . 81.8 t -50.08 -33.11 9.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-O 121.338 0.59 . . . . 0.0 109.947 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' B' ' 7' ' ' ILE . 3.0 mm? -81.56 -36.49 29.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 0.0 109.814 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.3 -68.54 0.42 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.389 -0.819 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -56.82 -30.48 63.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -0.859 . . . . 0.0 110.64 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.59 59.36 15.4 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 110.076 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.93 164.62 35.05 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.592 1.311 . . . . 0.0 110.723 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.24 -20.74 32.19 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.777 1.409 . . . . 0.0 110.257 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -162.24 145.93 11.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.381 -0.824 . . . . 0.0 110.105 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.884 HD21 HG11 ' A' ' 22' ' ' VAL . 6.3 mp -85.89 -22.15 27.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.226 -0.921 . . . . 0.0 109.95 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.608 HG12 ' HG2' ' B' ' 42' ' ' ARG . 22.0 t -56.38 -58.47 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.287 -0.883 . . . . 0.0 109.719 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.27 -45.16 73.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.537 -0.727 . . . . 0.0 109.999 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.44 -49.13 79.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.0 109.627 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 30' ' ' LEU . . . -56.68 -40.98 76.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 0.0 109.856 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 31' ' ' VAL . 69.9 t -71.41 -28.38 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.338 -0.851 . . . . 0.0 109.819 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -28.37 22.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.296 -0.877 . . . . 0.0 109.382 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 41.3 t80 -80.41 -52.69 7.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.275 -0.891 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -66.12 -43.49 87.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 0.0 110.648 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.519 ' OG1' HG13 ' B' ' 35' ' ' VAL . 24.0 m -57.81 -44.51 86.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.114 -0.991 . . . . 0.0 109.78 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -63.67 -26.58 68.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 0.0 109.86 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -38.68 81.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.292 -0.88 . . . . 0.0 109.826 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -23.28 66.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 0.0 110.173 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -100.19 12.04 37.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 110.574 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.37 48.8 1.26 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.023 -1.048 . . . . 0.0 110.041 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.56 84.68 2.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 110.077 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.271 0.558 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 4.0 ttm -143.75 -179.72 6.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.91 . . . . 0.0 110.19 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 93.48 141.45 10.94 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -163.02 53.46 0.18 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -1.115 . . . . 0.0 110.199 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 7.4 tp -120.65 143.01 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 0.0 110.309 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.586 ' C ' HD12 ' B' ' 7' ' ' ILE . 0.3 OUTLIER -116.79 41.49 2.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.176 -0.952 . . . . 0.0 110.305 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.586 HD12 ' C ' ' B' ' 6' ' ' GLN . 4.1 mp -139.97 135.17 16.25 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.283 -0.886 . . . . 0.0 109.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.66 133.56 20.6 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.621 1.327 . . . . 0.0 110.375 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.19 -178.14 3.07 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 123.559 1.294 . . . . 0.0 110.506 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.89 1.04 90.6 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 30' ' ' LEU . 2.1 tp -87.94 -41.8 12.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.864 -1.374 . . . . 0.0 110.325 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 m -62.13 -54.8 36.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 0.0 110.407 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.39 -53.42 56.45 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -52.14 64.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 0.0 110.498 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.461 HD11 ' HG ' ' B' ' 11' ' ' LEU . 96.0 mt -61.22 -44.39 97.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.247 -0.908 . . . . 0.0 110.455 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.09 -45.94 61.64 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.12 -0.987 . . . . 0.0 110.416 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.38 -45.27 84.05 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.407 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 5.8 t80 -65.14 -38.22 89.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -1.15 . . . . 0.0 110.145 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.0 m -50.96 -57.31 8.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.081 -1.012 . . . . 0.0 109.24 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.95 -47.11 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 18' ' ' TYR . 0.1 OUTLIER -49.0 -65.72 0.52 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.495 0.664 . . . . 0.0 110.874 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.06 -40.36 45.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.449 -0.782 . . . . 0.0 110.332 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.617 HD13 ' HA ' ' C' ' 18' ' ' VAL . 14.6 tp -72.04 -11.08 60.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.143 -0.973 . . . . 0.0 110.682 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 -58.54 1.91 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 0.0 110.323 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -70.28 -37.03 74.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.358 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.37 56.14 15.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 0.0 110.013 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.449 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 45.2 Cg_endo -71.14 162.15 43.54 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.65 1.342 . . . . 0.0 110.822 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.85 -37.24 5.25 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.757 1.399 . . . . 0.0 110.416 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -120.45 120.94 37.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.294 -0.879 . . . . 0.0 110.165 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.95 -33.4 57.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.259 -0.9 . . . . 0.0 109.97 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.577 ' O ' HG23 ' B' ' 35' ' ' VAL . 33.9 t -54.64 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.68 -35.06 68.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.403 -0.811 . . . . 0.0 109.861 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.449 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 29.7 t80 -66.79 -50.83 61.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 0.0 109.632 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 -29.96 58.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.894 . . . . 0.0 109.774 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 31' ' ' VAL . 97.7 t -73.18 -54.71 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.327 -0.858 . . . . 0.0 110.14 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.65 -36.53 56.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.192 -0.943 . . . . 0.0 110.511 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -67.37 -74.73 0.11 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 0.0 110.718 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -53.05 -42.62 65.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 110.765 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.423 ' OG1' HG13 ' A' ' 35' ' ' VAL . 45.1 m -52.58 -52.67 54.01 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.963 -1.086 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -30.26 69.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.51 -20.48 64.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.608 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -78.39 -22.83 47.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.134 -0.979 . . . . 0.0 110.295 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -110.37 15.37 22.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 0.0 110.424 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -111.37 67.65 0.65 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.025 -1.047 . . . . 0.0 110.358 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -119.03 44.8 2.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.941 . . . . 0.0 110.219 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.122 -0.986 . . . . 0.0 110.201 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.184 0.516 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp -121.36 14.51 11.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.859 . . . . 0.0 110.556 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 mt -80.15 -51.12 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.1 -1.0 . . . . 0.0 110.47 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.96 -20.33 15.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.169 -0.957 . . . . 0.0 110.121 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.36 -42.75 12.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 0.0 109.568 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.2 -27.95 61.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.792 . . . . 0.0 109.994 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.578 ' HB1' ' HB ' ' A' ' 19' ' ' THR . . . -80.33 -21.45 42.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 109.953 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.9 p -80.12 -34.17 38.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.134 -0.979 . . . . 0.0 109.873 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -47.93 29.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 0.0 110.207 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.502 HG23 ' N ' ' C' ' 11' ' ' VAL . 0.7 OUTLIER -53.72 -42.55 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 109.421 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.587 HG11 HG23 ' A' ' 12' ' ' THR . 53.0 t -64.86 -27.08 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.07 -34.07 76.8 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.344 -0.847 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -41.05 62.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 0.0 110.595 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.607 ' O ' HG23 ' C' ' 18' ' ' VAL . 35.0 t -66.68 -45.48 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.046 -1.034 . . . . 0.0 109.728 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.461 HG22 ' O ' ' C' ' 11' ' ' VAL . 8.7 tp -66.64 -19.8 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.061 -1.025 . . . . 0.0 110.19 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' C' ' 20' ' ' ALA . 1.0 OUTLIER -79.02 -31.31 44.64 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -44.46 12.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.89 . . . . 0.0 110.264 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 7' ' ' ILE . 62.1 t -55.21 -20.89 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.307 -0.871 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -111.29 -9.96 14.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.248 -0.907 . . . . 0.0 110.771 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' C' ' 16' ' ' GLU . . . -92.56 25.2 3.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.957 -1.089 . . . . 0.0 110.404 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -51.76 52.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.197 -0.939 . . . . 0.0 110.16 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' C' ' 23' ' ' ALA . . . 98.89 -22.42 41.04 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' C' ' 22' ' ' GLY . . . 54.43 64.16 1.91 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.25 -1.147 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.167 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.223 0.535 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.1 ttt -163.59 117.53 1.55 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.97 169.89 24.22 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.54 -53.82 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.249 -1.148 . . . . 0.0 110.213 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 tp -125.18 137.13 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.824 . . . . 0.0 110.282 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.615 ' C ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -159.19 35.8 0.2 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.213 -0.929 . . . . 0.0 110.47 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.626 HG23 HG12 ' C' ' 18' ' ' VAL . 4.5 mp -135.28 110.8 10.71 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 0.0 110.079 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 116.04 4.53 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.463 1.243 . . . . 0.0 110.269 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.54 176.72 8.36 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 O-C-N 123.516 1.272 . . . . 0.0 110.682 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.15 1.46 81.78 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD11 HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -80.59 -6.62 58.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.861 -1.376 . . . . 0.0 110.631 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 m -74.69 -65.52 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.022 -1.049 . . . . 0.0 110.44 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -40.13 57.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.323 -0.861 . . . . 0.0 110.526 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 14' ' ' LEU . 89.2 mt -59.52 -61.66 2.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 0.0 110.409 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.891 ' CD1' HD22 ' B' ' 15' ' ' LEU . 2.8 mm? -59.04 -67.38 0.38 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.217 -0.927 . . . . 0.0 110.588 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.522 ' OE1' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -49.08 -37.44 21.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.187 -0.946 . . . . 0.0 110.463 -179.755 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.89 57.31 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 7.5 t80 -73.7 -47.27 40.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.553 -0.969 . . . . 0.0 109.57 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.858 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.59 -29.2 36.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 0.0 109.802 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.522 HG23 ' OE1' ' A' ' 16' ' ' GLN . 78.7 t -76.21 -77.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.357 -0.839 . . . . 0.0 110.582 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 9.5 pt-20 -47.22 -43.18 21.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 0.0 111.159 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.585 HG11 HD11 ' A' ' 30' ' ' LEU . 95.3 t -57.94 -39.23 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.934 -1.104 . . . . 0.0 110.06 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' C' ' 3' ' ' ILE . 9.0 mt -84.27 -58.78 2.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.133 -0.979 . . . . 0.0 110.384 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.82 -57.86 10.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.217 -0.927 . . . . 0.0 110.313 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -90.61 59.73 4.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.938 . . . . 0.0 110.096 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -36.55 97.35 0.13 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.918 -0.489 . . . . 0.0 111.712 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -75.76 164.13 32.48 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.942 1.496 . . . . 0.0 110.404 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.64 -44.5 1.45 Allowed 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.599 1.315 . . . . 0.0 110.062 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.56 122.25 23.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.476 -0.765 . . . . 0.0 109.835 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.9 -43.83 91.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -0.918 . . . . 0.0 109.893 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' H ' HG23 ' A' ' 31' ' ' VAL . 40.4 t -54.27 -59.61 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.322 -0.861 . . . . 0.0 109.566 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.68 -38.39 84.81 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.553 -0.717 . . . . 0.0 109.845 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.74 -39.44 94.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 109.641 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -61.68 -40.68 95.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.391 -0.818 . . . . 0.0 109.848 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG13 ' OG1' ' B' ' 39' ' ' THR . 87.5 t -74.98 -37.47 41.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.25 -26.2 61.02 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.292 -0.88 . . . . 0.0 109.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 34.1 t80 -78.69 -66.43 0.86 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 0.0 110.465 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' HB3' HG23 ' B' ' 35' ' ' VAL . 27.8 m-85 -54.94 -48.85 72.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 110.564 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HG13 ' B' ' 35' ' ' VAL . 52.1 m -52.43 -46.86 66.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.947 -1.096 . . . . 0.0 109.902 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -28.94 67.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 0.0 109.855 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.27 -41.45 84.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 0.0 109.83 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -44.68 54.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.117 -0.99 . . . . 0.0 110.141 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -89.81 10.86 21.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.334 -0.854 . . . . 0.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.22 32.95 2.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.999 -1.063 . . . . 0.0 109.954 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -154.18 -58.75 0.12 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.334 -0.854 . . . . 0.0 110.23 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.093 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 26.7 t60 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.25 0.548 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.9 mtp -104.56 158.91 16.17 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 0.0 110.202 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.44 -147.62 5.43 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.453 ' O ' ' CD2' ' B' ' 4' ' ' HIS . 47.6 p-80 -166.74 77.09 0.19 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -1.137 . . . . 0.0 110.124 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 tp -103.15 147.38 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.144 -0.972 . . . . 0.0 110.433 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -155.32 36.17 0.38 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.411 -0.806 . . . . 0.0 110.016 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 mm -128.0 127.61 23.85 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.313 -0.867 . . . . 0.0 110.204 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.416 ' HD2' HD21 ' A' ' 23' ' ' LEU . 47.1 Cg_endo -72.71 119.2 5.95 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.424 1.223 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.06 164.35 35.74 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.402 1.212 . . . . 0.0 110.385 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.59 76.08 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 tp -87.71 -38.71 15.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.186 -1.184 . . . . 0.0 110.055 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -71.35 -36.77 71.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 0.0 109.955 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.34 -50.94 71.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.33 -0.856 . . . . 0.0 109.982 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.46 -43.23 71.5 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 0.0 109.964 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.891 HD22 ' CD1' ' A' ' 15' ' ' LEU . 37.3 mt -71.69 -40.32 69.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 110.027 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -45.02 73.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.0 109.734 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -57.15 -51.73 55.7 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.705 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.8 t80 -55.15 -31.58 61.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -1.154 . . . . 0.0 110.084 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.0 m -68.43 -43.93 76.04 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.859 . . . . 0.0 110.43 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.26 -19.89 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.218 -0.927 . . . . 0.0 110.562 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.455 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.4 mt-10 -89.98 -48.92 6.9 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.145 -0.972 . . . . 0.0 108.992 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 18' ' ' TYR . 97.5 t -52.59 -25.31 7.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.711 -0.618 . . . . 0.0 110.023 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tp -90.15 -36.9 14.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.294 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -57.5 3.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.318 -0.864 . . . . 0.0 110.386 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -62.73 -39.93 95.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.939 . . . . 0.0 110.557 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 54.27 54.62 11.4 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.284 -0.885 . . . . 0.0 109.997 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 26' ' ' GLN . 47.6 Cg_endo -71.36 156.32 58.84 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.731 1.385 . . . . 0.0 110.62 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.15 -37.89 5.52 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.712 1.375 . . . . 0.0 110.22 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.71 130.9 55.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 0.0 110.011 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.423 HD13 HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -86.79 -39.12 16.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.317 -0.865 . . . . 0.0 110.324 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -49.5 -67.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 0.0 110.25 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -55.23 -42.4 73.35 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.419 -0.801 . . . . 0.0 109.7 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -57.53 -51.97 67.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.874 . . . . 0.0 109.684 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -48.92 -34.96 13.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.396 -0.815 . . . . 0.0 110.503 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.569 HG13 ' OG1' ' A' ' 39' ' ' THR . 88.5 t -70.96 -51.41 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.128 -0.982 . . . . 0.0 109.965 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.28 -30.32 59.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.347 -0.846 . . . . 0.0 110.166 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.455 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 29.8 t80 -74.75 -73.48 0.24 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 0.0 110.378 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 35' ' ' VAL . 15.2 m-85 -49.48 -42.36 43.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.213 -0.929 . . . . 0.0 110.536 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' HG13 ' A' ' 35' ' ' VAL . 53.4 m -53.67 -43.55 68.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.205 -0.935 . . . . 0.0 109.962 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -27.76 69.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 0.0 110.099 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -25.33 63.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.313 -0.867 . . . . 0.0 110.072 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -18.73 62.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' B' ' 43' ' ' GLU . 4.4 tp10 -78.81 -23.43 45.15 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.215 -0.928 . . . . 0.0 109.715 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.46 30.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 0.0 110.188 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.46 -166.15 0.58 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.235 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.275 0.56 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -54.13 49.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.262 -0.899 . . . . 0.0 110.249 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.514 HG23 ' CD1' ' A' ' 23' ' ' LEU . 8.6 mt -59.8 -49.35 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.377 -0.827 . . . . 0.0 110.278 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -57.57 -19.51 26.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.315 -0.865 . . . . 0.0 110.396 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.52 -50.88 5.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 0.0 109.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.98 77.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 0.0 109.783 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.858 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -72.49 -22.99 60.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.173 -0.954 . . . . 0.0 109.444 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -67.91 -45.71 73.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.314 -0.866 . . . . 0.0 109.642 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -62.13 -36.21 81.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.0 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' C' ' 10' ' ' ILE . 12.6 mm -53.73 -42.86 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 0.0 109.275 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.456 HG21 ' HG3' ' A' ' 16' ' ' GLN . 98.3 t -66.14 -45.39 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.776 . . . . 0.0 110.017 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -61.54 -29.09 69.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.313 -0.867 . . . . 0.0 110.583 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.68 -26.37 34.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.0 110.452 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.569 ' O ' HG23 ' C' ' 18' ' ' VAL . 69.9 t -87.57 -26.53 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.145 -0.972 . . . . 0.0 109.723 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.47 -23.96 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 0.0 109.704 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.64 -33.31 75.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.221 -0.925 . . . . 0.0 110.212 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.589 ' O ' ' HB3' ' C' ' 21' ' ' ALA . 0.0 OUTLIER -86.41 -40.75 15.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -0.959 . . . . 0.0 110.107 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.626 HG12 HG23 ' A' ' 7' ' ' ILE . 58.6 t -66.17 -12.74 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.835 . . . . 0.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -103.98 -57.47 2.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.087 -1.008 . . . . 0.0 110.574 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.45 68.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -0.884 . . . . 0.0 110.555 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' C' ' 17' ' ' GLN . . . -93.83 16.71 13.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.141 -0.974 . . . . 0.0 110.489 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.56 51.01 2.35 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.13 -80.54 0.1 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.336 -1.096 . . . . 0.0 110.16 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.206 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 54.2 m80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.249 0.547 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.97 68.51 0.84 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.224 -0.923 . . . . 0.0 110.147 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.42 69.4 0.25 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -140.04 60.25 1.56 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.145 -1.209 . . . . 0.0 110.144 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.61 139.41 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.264 -0.897 . . . . 0.0 110.14 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -158.45 -157.56 0.63 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 110.198 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.704 ' N ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -121.49 145.95 43.94 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.231 -0.918 . . . . 0.0 109.75 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.47 113.77 3.82 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.772 1.407 . . . . 0.0 110.367 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.92 -172.97 1.39 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.496 1.261 . . . . 0.0 110.186 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.1 13.35 60.6 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.634 HD22 HD11 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -89.61 -29.69 18.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.259 . . . . 0.0 109.968 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.635 HG23 HG11 ' C' ' 11' ' ' VAL . 94.1 m -62.16 -60.32 3.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.27 -25.77 49.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.273 -0.892 . . . . 0.0 110.023 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' B' ' 30' ' ' LEU . 1.1 tp -78.9 -51.06 10.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 0.0 110.188 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 11' ' ' LEU . 82.0 mt -68.05 -55.3 13.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' HG2' ' HB1' ' C' ' 7' ' ' ALA . 1.0 OUTLIER -49.71 -45.25 48.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.1 -1.0 . . . . 0.0 110.197 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -54.0 -42.35 70.62 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HH ' ' HD2' ' A' ' 33' ' ' PHE . 5.3 t80 -61.76 -32.8 73.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.381 -1.07 . . . . 0.0 109.923 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.628 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -66.3 -31.33 72.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.312 -0.868 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.563 ' HA ' HG21 ' C' ' 3' ' ' ILE . 60.7 t -79.63 -21.66 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.197 -0.939 . . . . 0.0 110.504 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -91.46 -48.95 6.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.113 -0.992 . . . . 0.0 109.157 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.668 HG13 HD21 ' A' ' 30' ' ' LEU . 92.9 t -57.42 -32.27 40.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.624 -0.672 . . . . 0.0 110.417 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' C' ' 3' ' ' ILE . 4.0 mt -86.14 -33.96 20.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -78.52 -71.8 0.41 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.246 -0.909 . . . . 0.0 110.325 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.58 -34.19 24.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.329 -0.857 . . . . 0.0 110.475 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 52.39 56.35 15.2 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.87 . . . . 0.0 110.206 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.31 151.76 66.13 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.633 1.333 . . . . 0.0 110.423 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.03 -30.57 16.24 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.685 1.361 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.9 p30 -115.38 130.87 57.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.356 -0.84 . . . . 0.0 110.205 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.668 HD21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -90.42 -49.37 6.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.222 -0.923 . . . . 0.0 110.108 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.5 -62.83 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.265 -0.897 . . . . 0.0 109.894 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -54.55 -34.61 62.12 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.606 -0.684 . . . . 0.0 109.865 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' HD2' ' HH ' ' A' ' 18' ' ' TYR . 56.1 t80 -65.78 -46.82 77.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.918 . . . . 0.0 109.66 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.09 -33.76 58.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.348 -0.845 . . . . 0.0 109.999 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG13 ' OG1' ' B' ' 39' ' ' THR . 93.1 t -72.07 -54.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.313 -0.867 . . . . 0.0 110.159 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.01 -36.86 63.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 0.0 110.539 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CE1' ' OE2' ' A' ' 21' ' ' GLU . 5.9 t80 -65.93 -76.96 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.262 -0.899 . . . . 0.0 110.459 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.408 ' HB3' HG23 ' B' ' 35' ' ' VAL . 34.1 m-85 -48.76 -47.9 41.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.257 -0.902 . . . . 0.0 110.908 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.479 ' OG1' HG13 ' B' ' 35' ' ' VAL . 67.4 m -50.43 -32.45 17.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.171 -0.956 . . . . 0.0 110.666 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.67 21.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 0.0 109.974 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -56.09 -21.99 25.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.338 -0.851 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -27.4 60.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.179 -0.95 . . . . 0.0 109.871 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -101.13 13.26 35.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 110.523 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.19 24.46 11.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.152 -0.968 . . . . 0.0 110.212 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -21.87 53.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.907 . . . . 0.0 110.247 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.413 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.262 0.554 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.57 90.29 7.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.948 . . . . 0.0 110.239 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.63 -166.53 12.0 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -125.57 71.26 1.21 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.249 -1.147 . . . . 0.0 110.044 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.89 152.45 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.339 -0.851 . . . . 0.0 110.169 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.464 ' O ' HD13 ' B' ' 7' ' ' ILE . 3.5 pt20 -146.68 68.52 1.17 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.206 -0.934 . . . . 0.0 110.525 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.464 HD13 ' O ' ' B' ' 6' ' ' GLN . 39.7 mm -122.38 142.28 36.71 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.123 -0.986 . . . . 0.0 109.918 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -72.23 136.44 26.75 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.534 1.281 . . . . 0.0 110.532 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.99 160.76 39.81 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.64 1.337 . . . . 0.0 110.493 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.1 -21.21 41.29 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.486 HD13 HG11 ' A' ' 22' ' ' VAL . 3.6 tp -71.6 -50.4 31.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.221 -1.164 . . . . 0.0 110.433 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.8 m -54.6 -63.03 1.28 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.217 -0.927 . . . . 0.0 110.12 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.38 -52.99 40.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.388 -0.82 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.23 -35.95 65.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.316 -0.865 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.521 HD11 HD22 ' A' ' 15' ' ' LEU . 1.6 mm? -74.74 -51.66 13.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -39.48 58.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.124 -0.985 . . . . 0.0 110.169 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.55 66.48 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.416 ' HA ' ' HB2' ' B' ' 21' ' ' GLU . 8.1 t80 -62.07 -39.72 93.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.308 -1.113 . . . . 0.0 110.111 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.598 ' OG1' HG22 ' C' ' 14' ' ' VAL . 54.1 m -50.61 -61.33 2.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.044 -1.035 . . . . 0.0 109.316 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.11 -41.05 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CE1' ' B' ' 37' ' ' TYR . 0.1 OUTLIER -53.45 -63.97 0.97 Allowed 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.316 0.579 . . . . 0.0 111.088 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 11' ' ' LEU . 87.2 t -47.62 -33.58 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.513 -0.742 . . . . 0.0 110.676 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.745 HD21 HG22 ' C' ' 18' ' ' VAL . 4.5 mm? -84.89 -20.11 31.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.102 -0.999 . . . . 0.0 110.067 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -72.8 -61.38 1.83 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.14 -0.975 . . . . 0.0 109.776 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.0 -26.05 34.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.266 -0.896 . . . . 0.0 109.907 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 0.0 OUTLIER 51.54 55.36 15.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 110.355 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.425 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 46.8 Cg_endo -71.79 149.21 53.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.684 1.36 . . . . 0.0 110.415 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.57 -40.16 5.97 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.648 1.341 . . . . 0.0 110.218 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -107.65 115.62 30.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 109.952 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.476 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -80.37 -34.27 36.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.195 -0.941 . . . . 0.0 110.35 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -50.11 -65.67 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.214 -0.929 . . . . 0.0 110.239 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.25 -41.39 84.1 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.448 -0.782 . . . . 0.0 109.926 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.425 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 46.8 t80 -60.93 -44.55 97.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 0.0 109.95 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -59.63 -42.79 93.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 0.0 109.954 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.479 HG13 ' OG1' ' A' ' 39' ' ' THR . 91.5 t -69.13 -44.66 80.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.329 -0.857 . . . . 0.0 109.987 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.19 -34.27 70.17 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.777 . . . . 0.0 110.022 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' OE2' ' B' ' 21' ' ' GLU . 18.1 t80 -75.89 -69.05 0.52 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.106 -0.996 . . . . 0.0 110.713 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 28.0 m-85 -51.31 -45.63 62.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.261 -0.899 . . . . 0.0 110.919 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.425 ' OG1' HG13 ' A' ' 35' ' ' VAL . 35.2 m -51.41 -51.76 52.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.08 -1.012 . . . . 0.0 110.277 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -71.44 -22.19 61.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' B' ' 41' ' ' LEU . 1.5 mt -72.73 -19.79 61.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.302 -0.874 . . . . 0.0 110.435 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -27.19 26.57 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.193 -0.942 . . . . 0.0 110.021 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -84.11 -23.82 30.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.94 59.69 1.2 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -0.924 . . . . 0.0 110.291 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -104.01 42.99 1.12 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.254 -0.904 . . . . 0.0 110.234 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.366 -179.938 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.269 0.557 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.57 -22.74 23.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.099 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.563 HG21 ' HA ' ' A' ' 20' ' ' VAL . 12.6 mt -63.17 -51.63 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 0.0 110.037 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -21.16 48.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.148 -0.97 . . . . 0.0 109.95 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -88.23 -52.49 5.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 0.0 109.63 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.17 71.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.418 -0.801 . . . . 0.0 109.869 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.628 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -78.53 -27.79 46.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 0.0 109.649 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -76.4 -37.06 57.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.32 -0.862 . . . . 0.0 109.868 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -80.99 -46.35 15.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 0.0 110.119 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.512 HG23 ' N ' ' C' ' 11' ' ' VAL . 1.2 tt -52.28 -41.82 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 0.0 109.58 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.635 HG11 HG23 ' A' ' 12' ' ' THR . 70.5 t -63.97 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.468 -0.77 . . . . 0.0 109.311 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.29 -42.4 30.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.387 -0.821 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.97 85.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.94 . . . . 0.0 110.252 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.598 HG22 ' OG1' ' B' ' 19' ' ' THR . 25.6 t -66.48 -28.66 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 0.0 109.932 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.407 HG12 ' O ' ' C' ' 11' ' ' VAL . 29.4 mm -70.88 -24.92 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.123 -0.986 . . . . 0.0 109.785 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' C' ' 20' ' ' ALA . 0.3 OUTLIER -73.58 -27.59 61.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.0 110.325 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.52 -41.64 23.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.745 HG22 HD21 ' B' ' 23' ' ' LEU . 60.9 t -69.93 -15.74 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 0.0 110.551 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.29 -31.77 7.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.03 -1.043 . . . . 0.0 110.339 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' C' ' 16' ' ' GLU . . . -52.69 -36.91 58.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.252 -0.905 . . . . 0.0 110.33 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.48 -13.06 60.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 0.0 110.675 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.02 -63.89 4.32 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.3 47.26 0.16 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.254 -1.145 . . . . 0.0 110.062 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.182 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.297 0.57 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.79 142.01 0.87 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.67 30.82 52.42 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.416 ' N ' HD12 ' A' ' 5' ' ' ILE . 58.6 t60 -114.9 39.51 2.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -1.163 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 5' ' ' ILE . 5.0 mp -121.18 60.93 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.923 . . . . 0.0 110.187 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.82 -154.08 0.61 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.343 -0.848 . . . . 0.0 110.078 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 7' ' ' ILE . 2.4 pp -55.2 137.75 67.26 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.176 -0.953 . . . . 0.0 110.09 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.99 114.65 3.97 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.606 1.319 . . . . 0.0 110.539 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.25 164.39 35.78 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.474 1.25 . . . . 0.0 110.581 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.01 -24.69 10.56 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.751 -1.339 . . . . 0.0 109.751 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.435 ' HG ' ' CD1' ' A' ' 15' ' ' LEU . 10.4 tp -54.15 -26.37 27.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.218 -1.166 . . . . 0.0 110.4 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.468 HG23 HG11 ' C' ' 11' ' ' VAL . 21.1 m -60.76 -59.76 4.88 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.226 -0.921 . . . . 0.0 110.288 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.44 -30.8 61.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 0.0 110.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.27 -58.57 3.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.166 -0.959 . . . . 0.0 110.528 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 68.9 mt -61.94 -57.38 11.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.168 -0.958 . . . . 0.0 110.639 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.15 -37.42 46.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.088 -1.008 . . . . 0.0 110.239 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.15 96.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.665 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 t80 -72.33 -35.72 68.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.348 -1.089 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.705 HG21 ' HA ' ' C' ' 7' ' ' ALA . 0.2 OUTLIER -53.72 -54.84 32.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.066 -1.022 . . . . 0.0 108.988 179.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.36 -46.95 94.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -50.56 -56.26 12.48 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.362 0.601 . . . . 0.0 111.074 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 18' ' ' TYR . 21.3 t -62.4 -24.51 35.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.301 -0.874 . . . . 0.0 110.508 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.774 HD13 HG12 ' C' ' 3' ' ' ILE . 0.2 OUTLIER -89.43 -26.61 20.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.128 -0.982 . . . . 0.0 110.147 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -75.48 -55.8 5.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.292 -0.88 . . . . 0.0 110.128 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -80.72 -30.42 36.27 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.272 -0.893 . . . . 0.0 109.73 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.85 57.61 14.74 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 110.235 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 45.0 Cg_endo -71.6 151.43 58.45 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.525 1.276 . . . . 0.0 110.48 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.79 -36.72 7.63 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.671 1.353 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -111.08 122.71 48.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 0.0 110.189 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -89.24 -33.27 17.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 0.0 110.166 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.3 t -52.54 -61.17 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.25 -0.906 . . . . 0.0 109.92 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.05 -45.73 90.83 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.541 -0.724 . . . . 0.0 109.978 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 19.2 t80 -57.4 -54.21 49.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 109.612 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -49.22 -35.01 16.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.343 -0.848 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.583 HG13 ' OG1' ' B' ' 39' ' ' THR . 93.7 t -70.79 -53.45 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.288 -0.882 . . . . 0.0 110.119 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -49.71 -46.6 50.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 0.0 110.662 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.462 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 18.2 t80 -55.17 -72.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 0.0 110.201 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 27.5 m-85 -54.46 -41.97 70.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.492 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.471 ' OG1' HG13 ' B' ' 35' ' ' VAL . 26.7 m -53.17 -49.77 65.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.162 -0.962 . . . . 0.0 109.943 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -31.02 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.848 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -54.73 -36.73 65.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 0.0 110.041 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -44.57 84.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.407 -0.808 . . . . 0.0 110.277 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -70.48 -23.57 62.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.38 -30.44 23.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.166 -0.959 . . . . 0.0 110.112 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.48 42.38 29.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.189 -0.945 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.296 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 37.9 m170 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.238 0.542 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 57.5 mtm -113.5 -80.75 0.59 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 110.243 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.79 158.99 11.16 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.86 42.13 1.3 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -1.189 . . . . 0.0 110.335 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.421 HG22 ' O ' ' B' ' 5' ' ' ILE . 4.0 mp -114.89 82.14 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.0 110.176 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.89 152.76 27.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.751 HG13 HD11 ' A' ' 23' ' ' LEU . 3.7 mp -70.49 135.57 86.3 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.919 . . . . 0.0 109.79 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.49 138.14 31.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.451 1.237 . . . . 0.0 110.545 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.06 157.65 50.58 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.634 1.334 . . . . 0.0 110.43 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.36 -25.9 4.47 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -76.79 -8.58 57.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.281 -1.129 . . . . 0.0 110.541 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.0 m -80.65 -60.15 2.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.023 -1.048 . . . . 0.0 110.583 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.67 -49.72 64.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.363 -0.835 . . . . 0.0 110.769 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.69 -56.97 14.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.24 -0.912 . . . . 0.0 110.704 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 15' ' ' LEU . 2.2 mm? -58.45 -46.17 87.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -0.989 . . . . 0.0 110.603 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -50.08 -44.97 52.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.012 -1.055 . . . . 0.0 110.308 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.65 80.33 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.706 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 14.9 t80 -55.82 -34.38 65.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.336 -1.097 . . . . 0.0 109.75 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -64.84 -42.27 95.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.412 -0.805 . . . . 0.0 110.233 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.37 -21.98 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 0.0 110.388 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' B' ' 37' ' ' TYR . 1.2 mt-10 -89.92 -51.45 5.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.266 -0.896 . . . . 0.0 108.827 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' B' ' 30' ' ' LEU . 41.6 t -48.36 -31.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.756 -0.59 . . . . 0.0 110.121 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.82 HD11 ' HA ' ' C' ' 18' ' ' VAL . 25.5 mt -89.37 -31.56 17.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.264 -0.897 . . . . 0.0 109.964 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.22 -63.02 1.46 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.294 -0.879 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -53.8 -34.83 60.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -0.931 . . . . 0.0 110.122 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' B' ' 27' ' ' PRO . 1.0 OUTLIER 51.93 51.17 9.45 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.452 -0.78 . . . . 0.0 110.403 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.49 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 45.9 Cg_endo -70.82 156.09 61.23 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.596 1.314 . . . . 0.0 110.382 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.26 -50.59 0.4 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.702 1.37 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -110.76 114.49 27.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 0.0 109.982 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' B' ' 22' ' ' VAL . 0.5 OUTLIER -67.48 -32.21 72.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.92 . . . . 0.0 110.263 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.08 -62.93 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.239 -0.913 . . . . 0.0 109.963 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.71 -42.65 89.18 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.565 -0.71 . . . . 0.0 110.045 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.49 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 23.2 t80 -58.69 -52.36 66.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.907 . . . . 0.0 109.733 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.706 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -51.18 -38.83 54.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.471 HG13 ' OG1' ' A' ' 39' ' ' THR . 95.5 t -70.93 -42.03 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.141 -0.975 . . . . 0.0 110.361 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.3 -29.77 70.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.897 . . . . 0.0 110.776 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.463 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 37.4 t80 -72.28 -60.75 2.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.121 -0.987 . . . . 0.0 110.608 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -62.94 -47.73 81.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.135 -0.978 . . . . 0.0 110.58 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.583 ' OG1' HG13 ' A' ' 35' ' ' VAL . 71.9 m -51.91 -45.94 64.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.104 -0.998 . . . . 0.0 110.201 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 -68.85 -29.71 68.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.195 -0.941 . . . . 0.0 109.866 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tp -55.66 -39.41 70.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -0.851 . . . . 0.0 110.218 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -48.64 47.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.302 -0.874 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.34 -45.8 30.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 109.882 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.86 46.63 25.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.422 -0.799 . . . . 0.0 110.461 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.21 131.72 45.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 110.048 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.223 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' C' ' 3' ' ' ILE . 48.3 m-20 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.148 0.499 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 mp 59.81 -81.56 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.489 -0.757 . . . . 0.0 110.607 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.774 HG12 HD13 ' A' ' 23' ' ' LEU . 3.0 mt -47.92 -38.73 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.235 -0.916 . . . . 0.0 110.505 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -64.94 -19.91 66.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.176 -0.952 . . . . 0.0 110.208 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -97.08 -42.74 7.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 109.706 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -32.76 72.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.249 -0.907 . . . . 0.0 109.651 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.705 ' HA ' HG21 ' A' ' 19' ' ' THR . . . -79.52 -21.01 45.82 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.258 -0.901 . . . . 0.0 109.675 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -32.02 45.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 0.0 109.574 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -49.54 14.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.197 -0.939 . . . . 0.0 109.955 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.527 HG23 ' N ' ' C' ' 11' ' ' VAL . 0.9 OUTLIER -51.78 -41.5 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.056 -1.027 . . . . 0.0 109.496 179.424 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . 0.527 ' N ' HG23 ' C' ' 10' ' ' ILE . 76.6 t -66.54 -36.61 77.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.435 -0.791 . . . . 0.0 109.093 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -55.92 -40.96 73.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 0.0 109.878 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.26 91.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 0.0 110.057 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 t -64.59 -31.56 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 0.0 109.438 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 81.4 mt -74.27 -27.94 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.214 -0.928 . . . . 0.0 109.777 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -85.17 -21.94 28.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.281 -0.887 . . . . 0.0 110.081 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -92.0 -36.74 13.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 0.0 110.557 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.82 ' HA ' HD11 ' B' ' 23' ' ' LEU . 4.7 p -52.17 -42.73 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.089 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.466 ' N ' ' CG1' ' C' ' 18' ' ' VAL . 1.5 tptp -84.06 -25.77 29.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.491 -0.755 . . . . 0.0 109.912 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.94 47.41 0.92 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.869 . . . . 0.0 110.044 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.15 -43.14 5.33 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.388 -0.82 . . . . 0.0 110.188 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.97 -51.36 0.82 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . 54.3 26.02 6.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.196 -1.179 . . . . 0.0 110.167 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.224 -179.968 . . . . . . . . 0 0 . 1 stop_ save_