data_5lbj_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 5lbj _Structure_validation_residue.Date_analyzed 2017-07-28 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 ' 3' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.825 0.345 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.13 73.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.69 -30.56 71.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.36 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 6' ' ' LEU . 4.6 tt -91.35 -13.03 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.033 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.08 -44.96 64.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.658 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -70.58 -41.74 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.82 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.7 -43.17 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -65.63 -43.05 90.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 111.008 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.81 -39.97 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.839 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.13 -43.05 88.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 14' ' ' LEU . 2.2 pp -73.54 -30.5 63.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.351 . . . . 0.0 110.522 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.43 72.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.528 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.71 18.47 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 59.0 Cg_endo -72.75 -25.71 16.8 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.107 1.871 . . . . 0.0 112.554 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.17 -49.19 63.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.46 -44.07 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.987 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.06 83.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.143 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.234 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.306 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.41 84.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.665 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.86 -35.16 79.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tt -86.65 -13.07 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.059 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.07 -46.01 68.41 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.594 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 mmt -68.13 -47.33 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.605 0.241 . . . . 0.0 111.328 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.88 96.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.764 0.316 . . . . 0.0 111.346 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.96 -42.92 75.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.308 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 18.1 m95 -65.0 -41.05 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.293 . . . . 0.0 111.06 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -40.29 82.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.26 -42.89 83.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.1 pp -73.35 -30.29 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.97 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.77 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -54.85 18.95 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 59.5 Cg_endo -73.18 -25.06 16.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.255 1.97 . . . . 0.0 112.642 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.14 -48.31 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.309 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.04 -41.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.348 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.12 80.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.256 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.508 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.757 0.313 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.65 90.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.767 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.599 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.4 tt -79.67 -13.12 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.436 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.86 -46.36 60.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.861 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.8 -44.8 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.59 0.233 . . . . 0.0 111.255 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -69.11 -43.34 74.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.28 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.407 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 13.2 m95 -64.89 -42.76 94.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.736 0.303 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -39.82 84.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.74 -42.74 77.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.547 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.0 pp -73.24 -30.76 63.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.627 0.251 . . . . 0.0 111.057 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.9 73.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.68 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.18 -55.25 19.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.2 Cg_endo -72.32 -25.9 17.99 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.287 1.991 . . . . 0.0 112.553 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.85 -47.69 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.95 -42.0 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.183 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.46 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.312 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.808 0.337 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.61 -40.75 76.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -70.4 -32.85 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.942 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.433 HD22 ' O ' ' A' ' 6' ' ' LEU . 5.5 tt -89.47 -13.56 37.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.542 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.27 61.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.445 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -71.53 -43.2 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.24 93.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -69.21 -47.06 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.26 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -62.0 -41.98 98.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.628 0.251 . . . . 0.0 111.253 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -40.27 84.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.29 -43.2 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.0 pp -74.1 -30.68 62.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 111.072 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.06 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.809 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -48.05 -54.71 22.32 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.69 -25.49 17.23 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.205 1.937 . . . . 0.0 112.548 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 14' ' ' LEU . 54.4 t -69.56 -48.41 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.242 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.9 mt -69.83 -41.67 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.271 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.341 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.872 0.368 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.98 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -69.71 -37.66 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.42 -13.1 58.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.155 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.94 -47.17 48.41 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.742 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.54 -45.11 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.582 0.23 . . . . 0.0 111.536 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.02 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.25 -46.22 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.342 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -61.54 -40.47 94.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.86 -39.99 83.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.98 -43.07 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.438 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.1 pp -73.7 -30.75 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -35.1 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.719 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.501 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -47.91 -54.91 20.24 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 57.0 Cg_endo -72.57 -28.72 14.06 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.216 1.944 . . . . 0.0 112.627 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.73 -46.74 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.9 mt -70.19 -44.84 77.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.079 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.94 73.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.81 -42.43 77.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -67.93 -35.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' HD21 ' A' ' 6' ' ' LEU . 3.5 tt -85.42 -13.27 49.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.4 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.93 -50.87 32.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.696 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -68.36 -39.57 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.649 0.261 . . . . 0.0 111.093 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.3 82.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.38 -43.87 72.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.269 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -63.85 -41.91 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.705 0.288 . . . . 0.0 111.234 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.25 -40.43 81.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.69 -42.93 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.2 pp -73.49 -30.32 63.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.81 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -48.52 -55.58 18.64 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.29 -25.27 18.78 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.19 1.926 . . . . 0.0 112.479 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.09 -47.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.8 mt -70.03 -39.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.05 89.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.398 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.23 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.626 -179.823 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.47 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.07 -36.87 80.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' HD21 ' A' ' 6' ' ' LEU . 4.3 tt -84.37 -13.16 53.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.93 37.42 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.606 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.94 -42.87 84.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.644 0.259 . . . . 0.0 111.127 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.22 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.233 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.27 -42.13 75.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -65.94 -41.46 91.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -67.94 -39.96 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.754 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.85 -42.8 85.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.023 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.7 pp -73.3 -30.59 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.739 0.304 . . . . 0.0 110.542 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.49 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.488 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.21 -56.03 13.74 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.819 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.9 Cg_endo -71.74 -24.35 21.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.17 1.913 . . . . 0.0 112.451 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 14' ' ' LEU . 75.3 t -69.72 -48.67 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.61 -38.02 71.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.509 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.328 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.4 t80 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.743 0.306 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.88 80.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.759 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.8 -34.64 78.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.4 HD21 ' O ' ' A' ' 6' ' ' LEU . 5.9 tt -88.65 -13.2 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 -42.1 88.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -71.35 -50.67 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.609 0.242 . . . . 0.0 111.356 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.7 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.51 -47.54 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.217 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -39.73 83.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.71 -42.87 81.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.415 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.12 -30.47 63.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.673 0.273 . . . . 0.0 110.743 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.92 73.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.555 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.54 -55.27 17.32 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.5 Cg_endo -71.39 -25.59 21.4 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.128 1.885 . . . . 0.0 112.347 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.56 -47.95 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.87 -37.17 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.49 78.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.738 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.195 179.664 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.786 0.327 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.68 -42.7 73.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.51 -32.07 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' O ' HD21 ' A' ' 6' ' ' LEU . 4.2 tt -88.87 -13.37 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.279 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.85 -48.93 58.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.652 0.263 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.16 95.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.377 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.14 -47.11 65.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.271 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -60.57 -41.18 94.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -40.16 82.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.938 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.8 -42.78 85.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.382 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.9 pp -73.08 -30.44 63.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.54 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -34.59 75.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.447 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.19 -55.93 16.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 54.5 Cg_endo -71.18 -25.44 22.26 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.094 1.862 . . . . 0.0 112.495 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 14' ' ' LEU . 73.6 t -68.73 -48.72 69.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.702 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -69.91 -43.45 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.82 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.853 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.114 179.741 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.744 0.307 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.71 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.93 -34.74 75.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.2 tt -85.94 -13.65 47.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.482 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.84 15.13 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.515 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.0 mmt -64.32 -46.07 85.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.613 0.244 . . . . 0.0 111.363 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.528 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -69.41 -45.92 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -61.76 -39.75 92.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.673 0.273 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -40.28 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.18 -42.91 83.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.416 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.7 pp -72.93 -30.29 63.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 110.671 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.59 75.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.47 -55.94 14.64 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.887 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 55.8 Cg_endo -71.25 -25.14 22.38 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.139 1.892 . . . . 0.0 112.492 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.9 t -69.64 -46.65 74.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mt -70.48 -39.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.69 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.358 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.2 t80 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.865 0.364 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.39 -42.27 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.97 -26.93 68.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.356 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.416 HD22 ' O ' ' A' ' 6' ' ' LEU . 4.8 tt -95.79 -13.28 24.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.275 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.83 76.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.781 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 mmt -69.33 -45.1 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.648 0.261 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.39 97.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.19 -44.26 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.301 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -64.01 -41.94 97.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -40.37 82.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.22 -42.59 88.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.291 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.1 pp -73.57 -32.26 64.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.639 0.257 . . . . 0.0 111.206 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.0 73.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.759 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.06 -55.21 19.05 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.7 Cg_endo -72.27 -24.97 19.18 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.228 1.952 . . . . 0.0 112.578 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 14' ' ' LEU . 70.6 t -69.43 -48.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.754 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -70.03 -40.89 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.19 85.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.754 179.441 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.773 0.321 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.93 74.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -66.21 -29.74 70.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.377 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 6' ' ' LEU . 6.6 tt -91.04 -13.54 33.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.064 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.89 -49.04 57.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.734 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.5 -42.46 74.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.683 0.278 . . . . 0.0 111.163 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.23 87.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.17 -43.99 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -63.79 -42.26 97.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.723 0.297 . . . . 0.0 111.204 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -68.22 -40.44 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.917 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.29 -43.05 92.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.1 pp -73.49 -30.45 63.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 0.0 110.598 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.76 73.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.636 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . . . -48.31 -55.5 18.45 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -71.95 -25.95 19.18 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.153 1.902 . . . . 0.0 112.483 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 14' ' ' LEU . 69.8 t -68.71 -46.71 79.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 110.625 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.1 mt -70.37 -41.74 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.888 179.491 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -42.73 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.56 -29.08 68.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.595 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.449 HD22 ' O ' ' A' ' 6' ' ' LEU . 4.6 tt -93.2 -13.14 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.095 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 -46.4 62.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.867 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -70.14 -44.26 69.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.603 0.24 . . . . 0.0 111.38 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.66 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 111.052 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.35 -46.11 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.287 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -62.95 -42.87 99.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.737 0.303 . . . . 0.0 111.219 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -40.15 82.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.014 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.98 -42.77 89.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.261 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.2 pp -73.35 -30.51 63.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.768 0.318 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -34.96 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.631 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.35 -55.11 20.33 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.7 Cg_endo -72.4 -27.06 16.46 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.227 1.951 . . . . 0.0 112.509 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.5 -48.62 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.6 mt -70.11 -37.1 71.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.08 82.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.321 -179.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.29 83.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.17 -36.91 85.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.411 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -84.49 -13.51 51.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.207 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.21 62.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.906 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.71 -48.23 67.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 111.381 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.38 95.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.03 -45.63 69.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.327 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -62.76 -40.76 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.697 0.284 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -40.12 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.59 -42.49 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.417 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.2 pp -72.99 -30.28 63.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 110.529 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.66 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.416 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.13 -55.88 16.34 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.803 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.61 -25.84 20.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.19 1.927 . . . . 0.0 112.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -68.19 -48.3 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.055 0.455 . . . . 0.0 110.596 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mt -70.21 -38.23 73.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.62 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.318 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.874 0.368 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.66 -42.73 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.5 -33.72 75.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.5 tt -87.66 -13.46 42.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -49.0 53.92 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -66.98 -45.23 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.056 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.67 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.23 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.37 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -63.21 -40.55 97.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -40.12 82.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.713 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.44 -42.98 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.4 pp -73.38 -30.15 63.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.714 0.292 . . . . 0.0 110.735 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.01 73.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.532 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . . . -46.95 -55.14 16.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.818 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 56.2 Cg_endo -71.47 -24.64 22.2 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.149 1.899 . . . . 0.0 112.367 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 14' ' ' LEU . 81.0 t -70.07 -48.12 64.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.5 mt -70.06 -42.64 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.961 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.46 77.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.034 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.384 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.87 81.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.09 -39.37 86.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -82.31 -13.25 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.61 75.65 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.653 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -72.8 -41.62 64.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.693 0.282 . . . . 0.0 111.016 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.2 90.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.776 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.39 -44.97 70.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -63.57 -43.05 98.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.73 0.3 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.55 83.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.899 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -42.74 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.207 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.39 -30.33 63.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.603 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.67 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.778 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . . . -48.42 -54.88 22.15 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -72.75 -26.69 15.71 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.165 1.91 . . . . 0.0 112.47 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' LEU . 62.6 t -68.97 -46.95 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.25 -42.65 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.84 -35.33 74.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.114 179.699 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.747 0.308 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -65.16 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tt -90.7 -13.3 34.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.997 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.42 -42.25 93.94 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -72.41 -44.34 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.641 0.258 . . . . 0.0 111.216 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.36 97.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.956 0.408 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -69.33 -46.29 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 21.1 m95 -62.59 -41.6 99.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -68.34 -40.39 81.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.33 -43.13 91.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' HG21 ' A' ' 18' ' ' VAL . 2.2 pp -73.24 -30.06 63.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.71 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.588 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . . . -47.22 -55.5 15.6 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.29 -25.03 22.37 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.074 1.85 . . . . 0.0 112.265 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 14' ' ' LEU . 85.2 t -70.19 -45.55 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.37 -44.14 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.57 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.27 179.753 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.97 79.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.17 -36.68 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.522 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tt -85.86 -12.99 49.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -51.96 32.25 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.892 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.04 -45.47 85.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.63 0.252 . . . . 0.0 111.312 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.2 94.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.365 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.32 -43.13 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.427 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.405 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 29.8 m95 -64.94 -42.79 94.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.29 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -40.16 82.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.75 -42.64 85.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.4 pp -73.07 -30.36 63.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.6 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.435 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.77 -55.89 15.48 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.836 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.0 Cg_endo -71.61 -25.12 21.19 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.119 1.88 . . . . 0.0 112.378 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 14' ' ' LEU . 77.2 t -68.87 -48.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.038 0.447 . . . . 0.0 110.728 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.2 mt -70.48 -37.81 71.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.59 85.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.086 179.732 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.821 0.343 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.0 81.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.86 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.81 -37.59 76.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' HD21 ' A' ' 6' ' ' LEU . 4.5 tt -83.9 -13.47 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.149 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.79 -43.28 67.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 mmt -71.53 -45.71 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.274 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.75 99.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.02 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -69.38 -44.42 71.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -64.56 -42.28 95.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 110.987 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -40.4 82.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.44 -42.72 87.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.2 pp -73.31 -30.58 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.758 0.313 . . . . 0.0 110.666 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 -34.72 73.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.563 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -55.84 14.8 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 55.6 Cg_endo -71.57 -25.81 20.58 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.139 1.893 . . . . 0.0 112.499 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 14' ' ' LEU . 74.3 t -70.08 -47.55 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.338 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.12 -43.7 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.36 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -36.43 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.201 179.768 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.07 -42.01 81.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.31 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' HD21 ' A' ' 6' ' ' LEU . 5.2 tt -79.46 -13.34 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.094 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.35 -49.03 54.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.746 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.09 -45.96 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.608 0.242 . . . . 0.0 111.348 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 111.38 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.25 -44.68 71.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -63.62 -42.74 98.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.1 -40.06 82.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -43.1 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.0 pp -73.51 -30.42 63.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.362 . . . . 0.0 110.724 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.73 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.643 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.29 20.51 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 58.4 Cg_endo -72.53 -26.71 16.42 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.224 1.949 . . . . 0.0 112.576 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.39 -47.56 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.418 . . . . 0.0 110.94 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.2 mt -70.27 -47.84 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.192 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.64 76.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.22 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.394 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.9 ttm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.809 0.337 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.33 126.38 55.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.457 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -63.7 -33.41 75.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.676 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.13 73.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.69 -30.56 71.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.36 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 6' ' ' LEU . 4.6 tt -91.35 -13.03 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.033 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.08 -44.96 64.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.658 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -70.58 -41.74 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.82 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.7 -43.17 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -65.63 -43.05 90.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 111.008 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.81 -39.97 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.839 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.13 -43.05 88.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 14' ' ' LEU . 2.2 pp -73.54 -30.5 63.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.351 . . . . 0.0 110.522 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.43 72.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.528 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.71 18.47 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 59.0 Cg_endo -72.75 -25.71 16.8 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.107 1.871 . . . . 0.0 112.554 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.17 -49.19 63.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.46 -44.07 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.987 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.06 83.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.143 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.37 -45.56 78.16 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.306 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.22 -36.74 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.599 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.42 -34.83 79.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -46.5 88.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.2 m -62.25 -38.11 87.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 85.2 mtp -64.92 -48.32 74.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.3 -43.68 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.275 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.437 HG13 HD22 ' A' ' 32' ' ' ASN . 97.3 t -64.71 -43.23 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.862 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.49 -40.17 86.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.687 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -64.5 -47.31 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.533 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 24.2 mt -63.49 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.437 HD22 HG13 ' A' ' 28' ' ' VAL . 92.4 m-20 -67.46 -22.46 65.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.957 0.408 . . . . 0.0 110.412 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -82.48 -26.06 32.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.595 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HG3' ' HA ' ' A' ' 31' ' ' LEU . 16.7 mtm180 -72.44 -18.63 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.017 -179.674 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 ttm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.783 0.325 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.08 125.46 38.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.37 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.05 -33.84 76.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.551 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.41 84.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.665 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.86 -35.16 79.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tt -86.65 -13.07 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.059 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.07 -46.01 68.41 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.594 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 mmt -68.13 -47.33 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.605 0.241 . . . . 0.0 111.328 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.88 96.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.764 0.316 . . . . 0.0 111.346 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.96 -42.92 75.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.308 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 18.1 m95 -65.0 -41.05 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.293 . . . . 0.0 111.06 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -40.29 82.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.26 -42.89 83.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.1 pp -73.35 -30.29 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.97 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.77 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -54.85 18.95 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 59.5 Cg_endo -73.18 -25.06 16.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.255 1.97 . . . . 0.0 112.642 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.14 -48.31 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.309 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.04 -41.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.348 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.12 80.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.256 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.43 -45.63 67.51 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.0 mt -68.43 -38.51 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 30.3 tp -62.96 -37.9 88.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.585 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 28' ' ' VAL . . . -63.53 -36.1 82.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.759 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.8 m -62.24 -47.64 83.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.445 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 62.7 mtm -58.35 -40.24 81.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.47 -45.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.688 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 24' ' ' ALA . 86.5 t -62.94 -45.75 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.239 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -60.29 -38.6 84.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.755 0.312 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.454 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 11.6 t90 -66.45 -50.45 63.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.102 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.56 HD22 ' HD3' ' A' ' 34' ' ' ARG . 22.6 mt -64.7 -30.62 71.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.593 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -74.93 -16.92 60.63 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -100.86 -28.08 12.97 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.494 -179.277 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HD3' HD22 ' A' ' 31' ' ' LEU . 14.1 ptm180 -83.21 18.17 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.7 pttp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.466 -0.778 . . . . 0.0 111.107 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.843 0.354 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.59 127.39 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.48 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -63.89 -33.83 76.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.698 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.65 90.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.767 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.599 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.4 tt -79.67 -13.12 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.436 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.86 -46.36 60.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.861 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.8 -44.8 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.59 0.233 . . . . 0.0 111.255 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -69.11 -43.34 74.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.28 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.407 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 13.2 m95 -64.89 -42.76 94.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.736 0.303 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -39.82 84.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.74 -42.74 77.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.547 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.0 pp -73.24 -30.76 63.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.627 0.251 . . . . 0.0 111.057 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.9 73.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.68 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.18 -55.25 19.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.2 Cg_endo -72.32 -25.9 17.99 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.287 1.991 . . . . 0.0 112.553 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.85 -47.69 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.95 -42.0 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.183 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.46 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.22 -45.48 70.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.312 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.1 mt -68.13 -36.61 75.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.923 0.392 . . . . 0.0 110.779 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.81 -38.88 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.349 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.26 -36.29 79.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.742 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.5 t -64.52 -38.92 92.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.416 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.661 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 69.3 mtm -69.93 -38.33 76.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.925 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.0 -41.57 89.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t -68.68 -54.09 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.188 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.661 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 27.8 p30 -60.37 -27.23 67.25 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.043 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -70.73 -51.18 28.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 110.164 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 34' ' ' ARG . 21.8 mt -64.87 -28.16 69.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.831 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -66.97 -40.25 87.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.738 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 34' ' ' ARG . 2.6 pttp -74.18 -33.48 63.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.381 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.518 ' HD2' HD23 ' A' ' 31' ' ' LEU . 7.7 ptp180 -91.39 -1.68 57.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.754 0.312 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.113 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.841 0.353 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.13 137.8 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.328 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.6 -34.61 78.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.61 -40.75 76.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -70.4 -32.85 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.942 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 HD22 ' O ' ' A' ' 6' ' ' LEU . 5.5 tt -89.47 -13.56 37.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.542 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.27 61.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.445 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -71.53 -43.2 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.24 93.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -69.21 -47.06 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.26 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -62.0 -41.98 98.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.628 0.251 . . . . 0.0 111.253 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -40.27 84.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.29 -43.2 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.0 pp -74.1 -30.68 62.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 111.072 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.06 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.809 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -48.05 -54.71 22.32 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.69 -25.49 17.23 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.205 1.937 . . . . 0.0 112.548 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 14' ' ' LEU . 54.4 t -69.56 -48.41 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.242 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.9 mt -69.83 -41.67 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.271 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.49 -45.6 95.55 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.6 mt -68.18 -36.39 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.431 . . . . 0.0 110.713 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.37 -35.26 78.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.743 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.33 -46.88 88.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.093 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 t -59.83 -34.23 72.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.663 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 77.9 mtp -70.1 -43.96 69.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.829 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.94 -41.27 85.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.051 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.14 -46.09 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.955 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.663 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 11.4 p30 -62.68 -27.19 69.08 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.913 0.387 . . . . 0.0 110.665 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.497 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 10.3 t90 -70.74 -50.89 31.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.535 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.564 HD22 ' HD3' ' A' ' 34' ' ' ARG . 22.6 mt -65.29 -28.95 69.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.507 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.451 HD21 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -71.29 -39.59 71.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.957 -179.094 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -80.24 -39.42 29.05 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.066 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HD3' HD22 ' A' ' 31' ' ' LEU . 11.0 ptm180 -71.27 -40.82 70.71 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.818 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 35.1 pttt . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.991 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.865 0.364 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.81 128.2 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.277 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.82 -33.56 75.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.675 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.98 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -69.71 -37.66 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.42 -13.1 58.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.155 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.94 -47.17 48.41 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.742 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.54 -45.11 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.582 0.23 . . . . 0.0 111.536 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.02 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.25 -46.22 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.342 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -61.54 -40.47 94.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.86 -39.99 83.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.98 -43.07 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.438 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.1 pp -73.7 -30.75 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -35.1 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.719 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.501 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -47.91 -54.91 20.24 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 57.0 Cg_endo -72.57 -28.72 14.06 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.216 1.944 . . . . 0.0 112.627 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.73 -46.74 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.9 mt -70.19 -44.84 77.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.079 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.94 73.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.97 -45.43 73.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.98 -39.77 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HA ' ' HE1' ' A' ' 26' ' ' MET . 43.7 tp -65.43 -39.45 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.82 94.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.642 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -63.28 -34.77 78.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.487 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.655 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 71.1 mtm -69.89 -43.38 71.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.748 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.38 -41.18 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 110.051 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.3 t -68.46 -41.01 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.082 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.655 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 9.0 p30 -64.79 -28.61 69.69 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.989 0.423 . . . . 0.0 110.336 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.448 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 9.0 t90 -70.91 -50.62 32.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.487 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.583 HD23 ' HD2' ' A' ' 34' ' ' ARG . 53.1 mt -63.95 -28.44 69.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.43 HD21 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -74.3 -21.13 59.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.788 -179.514 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 2.3 pptp? -101.45 -1.63 32.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.624 0.249 . . . . 0.0 111.367 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HD2' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.16 5.1 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.002 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.95 -179.672 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 tpp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 126.1 53.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.491 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.05 -34.38 77.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.941 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.81 -42.43 77.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -67.93 -35.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' HD21 ' A' ' 6' ' ' LEU . 3.5 tt -85.42 -13.27 49.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.4 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.93 -50.87 32.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.696 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -68.36 -39.57 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.649 0.261 . . . . 0.0 111.093 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.3 82.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.38 -43.87 72.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.269 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -63.85 -41.91 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.705 0.288 . . . . 0.0 111.234 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.25 -40.43 81.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.69 -42.93 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.2 pp -73.49 -30.32 63.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.81 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -48.52 -55.58 18.64 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.29 -25.27 18.78 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.19 1.926 . . . . 0.0 112.479 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.09 -47.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.8 mt -70.03 -39.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.05 89.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.398 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.69 -45.77 93.66 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.626 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.3 mt -68.17 -36.2 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.77 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HA ' ' HE1' ' A' ' 26' ' ' MET . 41.5 tp -61.18 -38.03 85.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.394 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.05 93.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.94 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.3 m -61.93 -35.25 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.631 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 65.0 mtm -69.75 -41.58 75.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.832 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.51 -41.86 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.055 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.74 -43.33 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.936 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.631 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 7.3 p30 -61.67 -28.19 69.22 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.032 0.444 . . . . 0.0 110.25 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.445 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 11.6 t90 -71.01 -50.57 32.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.754 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -28.0 69.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.972 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.9 OUTLIER -65.46 -13.31 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.451 . . . . 0.0 110.181 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -91.92 -26.24 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.657 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -116.56 76.39 1.02 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.839 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.59 ' H ' ' HD3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 ttm . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.47 125.48 53.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.63 -33.19 75.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.47 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.07 -36.87 80.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' HD21 ' A' ' 6' ' ' LEU . 4.3 tt -84.37 -13.16 53.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.93 37.42 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.606 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.94 -42.87 84.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.644 0.259 . . . . 0.0 111.127 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.22 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.233 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.27 -42.13 75.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -65.94 -41.46 91.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -67.94 -39.96 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.754 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.85 -42.8 85.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.023 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.7 pp -73.3 -30.59 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.739 0.304 . . . . 0.0 110.542 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.49 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.488 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.21 -56.03 13.74 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.819 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.9 Cg_endo -71.74 -24.35 21.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.17 1.913 . . . . 0.0 112.451 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 14' ' ' LEU . 75.3 t -69.72 -48.67 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.61 -38.02 71.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.509 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.82 -45.89 93.13 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.328 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.7 -36.55 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 110.84 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.9 tp -65.99 -35.07 79.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.066 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.762 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 t -60.83 -32.43 71.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.499 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 84.7 mtp -68.85 -44.49 73.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.635 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.9 -43.09 98.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.422 HG13 HD22 ' A' ' 32' ' ' ASN . 64.6 t -64.9 -45.71 93.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -58.8 -40.28 83.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.689 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -64.96 -47.41 77.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.539 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.476 HD22 ' HD3' ' A' ' 34' ' ' ARG . 25.2 mt -63.14 -28.48 70.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.073 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.422 HD22 HG13 ' A' ' 28' ' ' VAL . 92.8 m-20 -70.33 -22.39 62.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 35' ' ' LYS . 41.3 tttm -85.72 -47.98 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.333 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HD3' HD22 ' A' ' 31' ' ' LEU . 12.2 ptm180 -75.8 24.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.432 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 33' ' ' LYS . 42.1 pttt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.72 134.39 40.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.421 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -63.67 -33.62 76.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.694 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.88 80.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.759 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.8 -34.64 78.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.4 HD21 ' O ' ' A' ' 6' ' ' LEU . 5.9 tt -88.65 -13.2 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 -42.1 88.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -71.35 -50.67 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.609 0.242 . . . . 0.0 111.356 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.7 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.51 -47.54 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.217 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -39.73 83.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.71 -42.87 81.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.415 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.12 -30.47 63.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.673 0.273 . . . . 0.0 110.743 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.92 73.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.555 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.54 -55.27 17.32 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.5 Cg_endo -71.39 -25.59 21.4 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.128 1.885 . . . . 0.0 112.347 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.56 -47.95 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.87 -37.17 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.49 78.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.738 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.56 -45.37 77.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.195 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.17 -36.96 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.682 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HA ' ' HE1' ' A' ' 26' ' ' MET . 50.8 tp -65.38 -37.85 88.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.509 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.27 93.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -61.69 -37.42 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.477 ' HE1' ' HA ' ' A' ' 23' ' ' LEU . 66.0 mtm -68.59 -37.1 79.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.21 -43.37 84.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.885 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.02 -41.75 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -59.67 -44.2 93.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -63.57 -46.13 87.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.834 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.581 HD22 ' HD3' ' A' ' 34' ' ' ARG . 22.5 mt -62.54 -32.01 72.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -67.7 -17.41 64.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.746 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -87.3 -35.01 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HD3' HD22 ' A' ' 31' ' ' LEU . 15.4 ptm180 -92.57 24.15 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.705 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.582 -0.723 . . . . 0.0 111.15 -179.835 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.5 tpp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.468 ' HG1' ' HB2' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -77.09 129.78 36.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.457 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.06 -34.64 78.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.75 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.68 -42.7 73.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.468 ' HB2' ' HG1' ' A' ' 2' ' ' THR . 19.9 mm-40 -67.51 -32.07 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' O ' HD21 ' A' ' 6' ' ' LEU . 4.2 tt -88.87 -13.37 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.279 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.85 -48.93 58.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.652 0.263 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.16 95.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.377 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.14 -47.11 65.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.271 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -60.57 -41.18 94.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -40.16 82.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.938 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.8 -42.78 85.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.382 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.9 pp -73.08 -30.44 63.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.54 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -34.59 75.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.447 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.19 -55.93 16.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 54.5 Cg_endo -71.18 -25.44 22.26 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.094 1.862 . . . . 0.0 112.495 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 14' ' ' LEU . 73.6 t -68.73 -48.72 69.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.702 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -69.91 -43.45 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.82 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.853 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.65 97.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.114 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.5 mt -67.72 -39.28 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.848 0.356 . . . . 0.0 110.606 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.35 -34.91 78.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.483 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.68 98.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.548 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.1 t -59.94 -34.92 73.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.524 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 80.2 mtp -67.16 -43.59 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.55 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.04 -43.82 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.905 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.11 -42.04 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.92 -35.23 76.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.0 110.562 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -69.89 -48.78 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.004 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD22 ' HD3' ' A' ' 34' ' ' ARG . 15.7 mt -62.6 -33.38 74.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.322 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.473 HD21 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -68.59 -13.07 62.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.739 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -92.42 -43.68 9.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HD3' HD22 ' A' ' 31' ' ' LEU . 14.3 ptm180 -82.25 24.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.183 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 tpp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.834 0.349 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.44 129.73 53.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.418 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.25 -36.29 83.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.07 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.71 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.93 -34.74 75.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.2 tt -85.94 -13.65 47.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.482 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.84 15.13 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.515 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.0 mmt -64.32 -46.07 85.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.613 0.244 . . . . 0.0 111.363 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.528 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -69.41 -45.92 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -61.76 -39.75 92.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.673 0.273 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -40.28 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.18 -42.91 83.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.416 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.7 pp -72.93 -30.29 63.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 110.671 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.59 75.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.47 -55.94 14.64 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.887 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 55.8 Cg_endo -71.25 -25.14 22.38 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.139 1.892 . . . . 0.0 112.492 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.9 t -69.64 -46.65 74.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mt -70.48 -39.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.69 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.6 -45.81 65.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.6 -37.31 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.789 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HA ' ' HE1' ' A' ' 26' ' ' MET . 58.9 tp -64.9 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.994 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.09 97.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.319 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.2 m -61.92 -37.92 86.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.456 ' HE1' ' HA ' ' A' ' 23' ' ' LEU . 71.4 mtm -65.72 -41.13 92.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.236 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.4 mt -66.88 -42.43 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.21 -37.92 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.0 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -64.55 -38.91 92.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.646 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -70.03 -48.24 58.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.904 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD22 ' HD3' ' A' ' 34' ' ' ARG . 19.7 mt -60.74 -37.65 82.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.488 HD21 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -70.63 -14.45 62.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.5 179.628 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -90.66 -36.93 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.718 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.542 ' HD3' HD22 ' A' ' 31' ' ' LEU . 13.8 ptm180 -83.61 28.38 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.7 pttp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.156 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.859 0.361 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 142.0 32.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.517 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -63.83 -35.75 81.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.376 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.39 -42.27 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.97 -26.93 68.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.356 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 HD22 ' O ' ' A' ' 6' ' ' LEU . 4.8 tt -95.79 -13.28 24.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.275 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.83 76.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.781 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 mmt -69.33 -45.1 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.648 0.261 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.39 97.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.19 -44.26 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.301 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -64.01 -41.94 97.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -40.37 82.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.22 -42.59 88.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.291 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.1 pp -73.57 -32.26 64.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.639 0.257 . . . . 0.0 111.206 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.0 73.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.759 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.06 -55.21 19.05 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.7 Cg_endo -72.27 -24.97 19.18 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.228 1.952 . . . . 0.0 112.578 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 14' ' ' LEU . 70.6 t -69.43 -48.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.754 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -70.03 -40.89 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.19 85.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.48 -43.72 98.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.754 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.98 -36.25 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.222 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 55.0 tp -65.23 -34.48 78.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.45 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.07 97.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.0 p -65.09 -34.69 79.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.467 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 69.4 mtm -67.86 -40.93 83.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.717 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.72 -42.78 93.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.58 -42.97 96.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.664 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -61.09 -34.27 74.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.555 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -69.82 -50.08 46.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.788 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.529 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 33.4 mt -63.84 -28.93 70.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.242 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.436 HD21 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -74.22 -15.47 61.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.994 -179.361 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.59 -20.88 14.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.707 0.289 . . . . 0.0 111.083 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.529 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 8.0 ptm180 -100.55 12.77 36.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.138 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.817 0.342 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.99 131.1 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.334 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -64.1 -34.0 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.93 74.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -66.21 -29.74 70.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.377 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 6' ' ' LEU . 6.6 tt -91.04 -13.54 33.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.064 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.89 -49.04 57.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.734 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.5 -42.46 74.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.683 0.278 . . . . 0.0 111.163 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.23 87.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.17 -43.99 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -63.79 -42.26 97.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.723 0.297 . . . . 0.0 111.204 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -68.22 -40.44 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.917 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.29 -43.05 92.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.1 pp -73.49 -30.45 63.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 0.0 110.598 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.76 73.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.636 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . . . -48.31 -55.5 18.45 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -71.95 -25.95 19.18 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.153 1.902 . . . . 0.0 112.483 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 14' ' ' LEU . 69.8 t -68.71 -46.71 79.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 110.625 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.1 mt -70.37 -41.74 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.61 -44.43 95.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.888 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.1 mt -67.63 -36.36 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.953 0.406 . . . . 0.0 110.432 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HA ' ' HE1' ' A' ' 26' ' ' MET . 54.3 tp -64.85 -36.39 84.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.59 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.93 92.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m -64.98 -39.29 93.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.446 ' HE1' ' HA ' ' A' ' 23' ' ' LEU . 67.9 mtm -66.66 -36.38 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.832 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.1 mt -67.98 -45.04 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.813 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG12 HD22 ' A' ' 32' ' ' ASN . 98.7 t -65.49 -46.72 89.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.002 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -57.56 -37.75 73.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -67.97 -47.0 69.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.544 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD22 ' HD3' ' A' ' 34' ' ' ARG . 13.6 mt -63.1 -29.85 71.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.485 HD22 HG12 ' A' ' 28' ' ' VAL . 90.2 m-20 -71.32 -15.72 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -88.95 -42.06 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HD3' HD22 ' A' ' 31' ' ' LEU . 15.6 ptm180 -84.85 32.39 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.3 pttp . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.542 -0.742 . . . . 0.0 111.095 179.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 tpp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.987 0.422 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.76 121.75 36.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -61.85 -32.99 73.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.558 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -42.73 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.56 -29.08 68.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.595 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.449 HD22 ' O ' ' A' ' 6' ' ' LEU . 4.6 tt -93.2 -13.14 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.095 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 -46.4 62.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.867 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -70.14 -44.26 69.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.603 0.24 . . . . 0.0 111.38 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.66 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 111.052 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.35 -46.11 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.287 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -62.95 -42.87 99.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.737 0.303 . . . . 0.0 111.219 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -40.15 82.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.014 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.98 -42.77 89.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.261 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.2 pp -73.35 -30.51 63.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.768 0.318 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -34.96 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.631 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.35 -55.11 20.33 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.7 Cg_endo -72.4 -27.06 16.46 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.227 1.951 . . . . 0.0 112.509 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.5 -48.62 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.6 mt -70.11 -37.1 71.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.08 82.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.0 -46.23 59.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.321 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.79 -36.52 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.546 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.03 -36.18 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.65 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.7 m -63.35 -33.19 74.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 82.4 mtp -69.44 -43.94 72.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.76 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.23 -41.55 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG11 HD22 ' A' ' 32' ' ' ASN . 98.9 t -66.28 -48.33 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.826 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.482 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -58.15 -37.24 74.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -69.82 -49.23 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.494 HD22 ' HD3' ' A' ' 34' ' ' ARG . 13.2 mt -62.81 -27.91 69.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.306 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.451 HD22 HG11 ' A' ' 28' ' ' VAL . 95.5 m-20 -71.96 -14.11 61.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.78 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -90.17 -48.83 6.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.494 ' HD3' HD22 ' A' ' 31' ' ' LEU . 14.0 ptm180 -75.63 -43.08 49.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.976 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.128 179.742 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.71 134.41 51.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.446 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -64.07 -33.67 76.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.48 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.29 83.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.17 -36.91 85.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.411 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -84.49 -13.51 51.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.207 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.21 62.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.906 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.71 -48.23 67.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 111.381 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.38 95.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.03 -45.63 69.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.327 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -62.76 -40.76 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.697 0.284 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -40.12 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.59 -42.49 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.417 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.2 pp -72.99 -30.28 63.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 110.529 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.66 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.416 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.13 -55.88 16.34 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.803 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.61 -25.84 20.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.19 1.927 . . . . 0.0 112.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -68.19 -48.3 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.055 0.455 . . . . 0.0 110.596 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mt -70.21 -38.23 73.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.62 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.02 -46.03 68.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.318 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.72 -38.54 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.609 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.515 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 60.9 tp -64.28 -38.11 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.938 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.6 m -60.47 -37.11 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.515 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 66.2 mtm -69.08 -38.0 78.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.86 -42.3 88.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.57 -42.36 89.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.03 -39.27 81.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.903 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -69.71 -47.58 62.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.112 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.553 HD23 ' HD3' ' A' ' 34' ' ' ARG . 29.8 mt -63.27 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.342 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.463 HD21 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -69.46 -13.76 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.637 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -91.87 -39.37 11.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.487 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.553 ' HD3' HD23 ' A' ' 31' ' ' LEU . 11.7 ptm180 -90.86 21.31 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.188 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 ttp . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.36 122.54 48.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.237 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -63.9 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.66 -42.73 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.5 -33.72 75.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.5 tt -87.66 -13.46 42.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -49.0 53.92 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -66.98 -45.23 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.056 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.67 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.23 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.37 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -63.21 -40.55 97.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -40.12 82.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.713 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.44 -42.98 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.4 pp -73.38 -30.15 63.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.714 0.292 . . . . 0.0 110.735 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.01 73.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.532 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . . . -46.95 -55.14 16.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.818 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 56.2 Cg_endo -71.47 -24.64 22.2 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.149 1.899 . . . . 0.0 112.367 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 14' ' ' LEU . 81.0 t -70.07 -48.12 64.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.5 mt -70.06 -42.64 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.961 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.46 77.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.034 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.56 84.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.384 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.6 mt -68.24 -42.48 84.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.349 . . . . 0.0 110.967 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.517 ' HA ' ' HE1' ' A' ' 26' ' ' MET . 42.0 tp -63.82 -37.76 88.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.91 92.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.929 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.9 m -63.72 -39.69 94.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.517 ' HE1' ' HA ' ' A' ' 23' ' ' LEU . 65.9 mtm -67.57 -41.84 83.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.9 -42.01 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -67.7 -40.94 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.958 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.82 -42.19 97.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -66.59 -49.86 64.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.286 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD23 ' HD3' ' A' ' 34' ' ' ARG . 23.1 mt -63.23 -40.27 96.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.466 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.8 -15.09 63.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.382 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -88.26 -34.75 17.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.433 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.511 ' HD3' HD23 ' A' ' 31' ' ' LEU . 12.7 ptm180 -93.75 -4.59 50.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.079 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.51 131.99 52.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.04 -33.59 76.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.87 81.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.09 -39.37 86.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -82.31 -13.25 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.61 75.65 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.653 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -72.8 -41.62 64.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.693 0.282 . . . . 0.0 111.016 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.2 90.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.776 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.39 -44.97 70.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -63.57 -43.05 98.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.73 0.3 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.55 83.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.899 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -42.74 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.207 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.39 -30.33 63.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.603 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.67 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.778 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . . . -48.42 -54.88 22.15 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -72.75 -26.69 15.71 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.165 1.91 . . . . 0.0 112.47 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' LEU . 62.6 t -68.97 -46.95 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.25 -42.65 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.84 -35.33 74.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.79 -45.07 90.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.114 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.14 -38.63 80.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.816 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 52.5 tp -64.12 -35.78 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.458 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.09 86.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.833 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -65.97 -37.82 86.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.43 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 68.4 mtm -69.65 -41.76 75.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.84 -42.54 96.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.56 HG11 HD22 ' A' ' 32' ' ' ASN . 92.4 t -67.7 -49.64 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -58.47 -32.98 69.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.759 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.417 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 9.2 t90 -70.07 -50.26 42.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.774 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.11 -28.12 69.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.66 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.56 HD22 HG11 ' A' ' 28' ' ' VAL . 94.8 m-20 -67.47 -30.78 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.997 -179.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -84.93 -18.85 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.559 0.219 . . . . 0.0 111.283 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -111.72 10.85 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.189 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.52 136.5 34.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.535 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.24 -34.34 77.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.698 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -65.16 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tt -90.7 -13.3 34.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.997 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.42 -42.25 93.94 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -72.41 -44.34 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.641 0.258 . . . . 0.0 111.216 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.36 97.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.956 0.408 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -69.33 -46.29 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 21.1 m95 -62.59 -41.6 99.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -68.34 -40.39 81.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.33 -43.13 91.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' HG21 ' A' ' 18' ' ' VAL . 2.2 pp -73.24 -30.06 63.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.71 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.588 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . . . -47.22 -55.5 15.6 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.29 -25.03 22.37 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.074 1.85 . . . . 0.0 112.265 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 14' ' ' LEU . 85.2 t -70.19 -45.55 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.37 -44.14 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.57 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.08 -45.11 93.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.27 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.8 mt -64.99 -39.36 85.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.956 0.407 . . . . 0.0 110.687 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HA ' ' HE1' ' A' ' 26' ' ' MET . 27.7 tp -62.4 -36.61 82.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.632 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' O ' HG21 ' A' ' 28' ' ' VAL . . . -63.04 -41.07 99.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.0 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -62.61 -36.5 82.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.469 ' HE1' ' HA ' ' A' ' 23' ' ' LEU . 70.7 mtm -68.77 -39.47 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.35 -42.89 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.736 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 24' ' ' ALA . 96.4 t -63.55 -44.59 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.568 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -59.68 -34.74 73.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.484 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 8.3 t90 -66.49 -48.4 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.427 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD22 ' HD3' ' A' ' 34' ' ' ARG . 24.4 mt -63.49 -27.96 69.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.354 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.7 -34.08 77.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.056 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -79.71 -21.26 44.82 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.665 0.269 . . . . 0.0 111.372 -179.452 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.479 ' HD3' HD22 ' A' ' 31' ' ' LEU . 8.3 ptm180 -105.65 -1.98 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.125 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.34 132.09 39.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.281 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.74 -33.62 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.63 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.97 79.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.17 -36.68 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.522 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tt -85.86 -12.99 49.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -51.96 32.25 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.892 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.04 -45.47 85.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.63 0.252 . . . . 0.0 111.312 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.2 94.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.365 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.32 -43.13 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.427 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.405 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 29.8 m95 -64.94 -42.79 94.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.29 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -40.16 82.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.75 -42.64 85.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.4 pp -73.07 -30.36 63.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.6 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.435 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.77 -55.89 15.48 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.836 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.0 Cg_endo -71.61 -25.12 21.19 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.119 1.88 . . . . 0.0 112.378 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 14' ' ' LEU . 77.2 t -68.87 -48.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.038 0.447 . . . . 0.0 110.728 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.2 mt -70.48 -37.81 71.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.59 85.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.4 -45.5 90.15 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.086 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.7 mt -68.25 -36.68 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.384 . . . . 0.0 110.748 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 55.1 tp -64.23 -39.85 94.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.743 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.89 94.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.6 t -62.02 -38.76 89.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.302 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.442 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 71.1 mtm -67.66 -42.17 82.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.201 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.63 -41.27 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.74 -40.44 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -62.78 -38.11 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.51 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 8.5 t90 -69.38 -49.35 56.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 27.1 mt -63.95 -33.06 74.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.814 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.485 HD21 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -74.6 -28.74 61.04 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -90.09 -23.96 21.25 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.59 -179.346 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 11.6 ptm180 -86.5 19.44 2.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.1 pttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.069 -179.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.69 129.44 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.28 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -64.14 -33.67 76.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.462 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.0 81.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.86 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.81 -37.59 76.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' HD21 ' A' ' 6' ' ' LEU . 4.5 tt -83.9 -13.47 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.149 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.79 -43.28 67.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 mmt -71.53 -45.71 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.274 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.75 99.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.02 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -69.38 -44.42 71.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -64.56 -42.28 95.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 110.987 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -40.4 82.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.44 -42.72 87.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.2 pp -73.31 -30.58 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.758 0.313 . . . . 0.0 110.666 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 -34.72 73.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.563 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -55.84 14.8 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 55.6 Cg_endo -71.57 -25.81 20.58 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.139 1.893 . . . . 0.0 112.499 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 14' ' ' LEU . 74.3 t -70.08 -47.55 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.338 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.12 -43.7 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.36 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -36.43 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.44 -44.86 92.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.201 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.0 mt -67.96 -36.31 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.641 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.37 -35.45 80.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.633 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.65 97.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.862 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.8 m -58.45 -34.94 71.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.435 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.97 -44.16 90.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.494 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.36 -46.5 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.861 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -40.57 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.66 -34.9 78.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -69.82 -49.74 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.013 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.98 -28.78 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.406 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -67.14 -23.45 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.964 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 39.3 tttm -80.19 -46.99 15.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -84.58 61.23 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.316 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' H ' ' HD3' ' A' ' 35' ' ' LYS . 3.1 mppt? . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.97 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 tpp . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.439 ' H ' ' HG1' ' A' ' 2' ' ' THR . 0.1 OUTLIER -100.95 139.39 36.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.59 -179.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -62.59 -34.13 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.005 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.07 -42.01 81.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.31 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' HD21 ' A' ' 6' ' ' LEU . 5.2 tt -79.46 -13.34 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.094 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.35 -49.03 54.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.746 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.09 -45.96 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.608 0.242 . . . . 0.0 111.348 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 111.38 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.25 -44.68 71.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -63.62 -42.74 98.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.1 -40.06 82.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -43.1 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.0 pp -73.51 -30.42 63.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.362 . . . . 0.0 110.724 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.73 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.643 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB2' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.29 20.51 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 58.4 Cg_endo -72.53 -26.71 16.42 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.224 1.949 . . . . 0.0 112.576 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.39 -47.56 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.418 . . . . 0.0 110.94 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.2 mt -70.27 -47.84 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.192 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.64 76.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.22 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.7 -45.4 89.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.394 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.85 -38.85 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.746 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.99 -38.34 88.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' O ' HG21 ' A' ' 28' ' ' VAL . . . -59.63 -42.77 93.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 m -65.59 -37.63 87.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.217 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 73.2 mtm -67.1 -41.5 86.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.56 -42.57 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 24' ' ' ALA . 99.4 t -67.59 -40.28 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -58.7 -46.37 87.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.935 0.398 . . . . 0.0 110.668 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -63.55 -44.5 93.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.777 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.43 HD22 ' HD3' ' A' ' 34' ' ' ARG . 44.4 mt -63.29 -31.53 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.425 HD21 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -70.59 -15.08 62.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.439 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -90.76 -37.51 13.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.387 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' HD22 ' A' ' 31' ' ' LEU . 11.0 ptm180 -93.37 -5.5 49.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.871 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 12.8 mptt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.825 0.345 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.13 73.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.69 -30.56 71.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.36 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.6 tt -91.35 -13.03 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.033 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.08 -44.96 64.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.658 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -70.58 -41.74 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.82 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.7 -43.17 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.409 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 19.3 m95 -65.63 -43.05 90.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 111.008 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.81 -39.97 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.839 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.13 -43.05 88.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.54 -30.5 63.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.351 . . . . 0.0 110.522 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.43 72.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.528 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.71 18.47 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 59.0 Cg_endo -72.75 -25.71 16.8 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.107 1.871 . . . . 0.0 112.554 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.9 t -69.17 -49.19 63.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.46 -44.07 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.987 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.06 83.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.143 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.234 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.306 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.41 84.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.665 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.86 -35.16 79.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tt -86.65 -13.07 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.059 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.07 -46.01 68.41 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.594 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 mmt -68.13 -47.33 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.605 0.241 . . . . 0.0 111.328 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.88 96.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.764 0.316 . . . . 0.0 111.346 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.96 -42.92 75.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.308 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 18.1 m95 -65.0 -41.05 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.293 . . . . 0.0 111.06 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -40.29 82.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.26 -42.89 83.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.35 -30.29 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.97 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.77 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -54.85 18.95 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 59.5 Cg_endo -73.18 -25.06 16.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.255 1.97 . . . . 0.0 112.642 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 14' ' ' LEU . 67.0 t -70.14 -48.31 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.309 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.04 -41.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.348 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.12 80.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.256 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.508 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.757 0.313 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.65 90.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.767 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.599 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.4 tt -79.67 -13.12 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.436 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.86 -46.36 60.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.861 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.8 -44.8 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.59 0.233 . . . . 0.0 111.255 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -69.11 -43.34 74.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.28 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 13.2 m95 -64.89 -42.76 94.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.736 0.303 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -39.82 84.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.74 -42.74 77.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.547 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -73.24 -30.76 63.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.627 0.251 . . . . 0.0 111.057 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.9 73.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.68 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.18 -55.25 19.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.2 Cg_endo -72.32 -25.9 17.99 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.287 1.991 . . . . 0.0 112.553 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 59.9 t -69.85 -47.69 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.95 -42.0 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.183 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.46 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.312 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.808 0.337 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.61 -40.75 76.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -70.4 -32.85 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.942 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 6' ' ' LEU . 5.5 tt -89.47 -13.56 37.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.542 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.27 61.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.445 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -71.53 -43.2 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.24 93.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -69.21 -47.06 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.26 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -62.0 -41.98 98.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.628 0.251 . . . . 0.0 111.253 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -40.27 84.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.29 -43.2 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -74.1 -30.68 62.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 111.072 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.06 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.809 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.05 -54.71 22.32 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.69 -25.49 17.23 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.205 1.937 . . . . 0.0 112.548 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.4 t -69.56 -48.41 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.242 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.9 mt -69.83 -41.67 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.271 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.341 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.872 0.368 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.98 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -69.71 -37.66 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.42 -13.1 58.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.155 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.94 -47.17 48.41 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.742 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.54 -45.11 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.582 0.23 . . . . 0.0 111.536 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.02 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.25 -46.22 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.342 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -61.54 -40.47 94.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.86 -39.99 83.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.98 -43.07 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.438 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.7 -30.75 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -35.1 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.719 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.91 -54.91 20.24 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.0 Cg_endo -72.57 -28.72 14.06 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.216 1.944 . . . . 0.0 112.627 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.7 t -66.73 -46.74 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.9 mt -70.19 -44.84 77.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.079 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.94 73.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.81 -42.43 77.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -67.93 -35.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.5 tt -85.42 -13.27 49.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.4 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.93 -50.87 32.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.696 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -68.36 -39.57 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.649 0.261 . . . . 0.0 111.093 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.3 82.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.38 -43.87 72.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.269 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -63.85 -41.91 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.705 0.288 . . . . 0.0 111.234 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.25 -40.43 81.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.69 -42.93 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.49 -30.32 63.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.81 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.52 -55.58 18.64 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.29 -25.27 18.78 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.19 1.926 . . . . 0.0 112.479 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.0 t -70.09 -47.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.8 mt -70.03 -39.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.05 89.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.398 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.23 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.626 -179.823 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.47 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.07 -36.87 80.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.3 tt -84.37 -13.16 53.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.93 37.42 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.606 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.94 -42.87 84.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.644 0.259 . . . . 0.0 111.127 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.22 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.233 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.27 -42.13 75.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -65.94 -41.46 91.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -67.94 -39.96 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.754 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.85 -42.8 85.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.023 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.7 pp -73.3 -30.59 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.739 0.304 . . . . 0.0 110.542 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.49 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.488 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.517 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.21 -56.03 13.74 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.819 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.9 Cg_endo -71.74 -24.35 21.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.17 1.913 . . . . 0.0 112.451 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.3 t -69.72 -48.67 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.61 -38.02 71.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.509 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.328 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.4 t80 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.743 0.306 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.88 80.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.759 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.8 -34.64 78.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.9 tt -88.65 -13.2 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 -42.1 88.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -71.35 -50.67 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.609 0.242 . . . . 0.0 111.356 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.7 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.51 -47.54 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.217 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -39.73 83.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.71 -42.87 81.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.415 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.12 -30.47 63.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.673 0.273 . . . . 0.0 110.743 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.92 73.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.555 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.54 -55.27 17.32 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.5 Cg_endo -71.39 -25.59 21.4 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.128 1.885 . . . . 0.0 112.347 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.3 t -69.56 -47.95 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.87 -37.17 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.49 78.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.738 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.195 179.664 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.786 0.327 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.68 -42.7 73.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.51 -32.07 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.424 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.2 tt -88.87 -13.37 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.279 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.85 -48.93 58.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.652 0.263 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.16 95.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.377 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.14 -47.11 65.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.271 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CE3' HD21 ' A' ' 14' ' ' LEU . 23.6 m95 -60.57 -41.18 94.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -40.16 82.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.938 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.8 -42.78 85.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.382 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 pp -73.08 -30.44 63.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.54 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -34.59 75.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.447 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.501 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.19 -55.93 16.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 54.5 Cg_endo -71.18 -25.44 22.26 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.094 1.862 . . . . 0.0 112.495 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.6 t -68.73 -48.72 69.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.702 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -69.91 -43.45 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.82 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.853 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.114 179.741 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.744 0.307 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.71 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.93 -34.74 75.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.2 tt -85.94 -13.65 47.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.482 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.84 15.13 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.515 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.0 mmt -64.32 -46.07 85.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.613 0.244 . . . . 0.0 111.363 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.528 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -69.41 -45.92 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -61.76 -39.75 92.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.673 0.273 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -40.28 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.18 -42.91 83.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.416 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.7 pp -72.93 -30.29 63.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 110.671 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.59 75.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.47 -55.94 14.64 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.887 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 55.8 Cg_endo -71.25 -25.14 22.38 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.139 1.892 . . . . 0.0 112.492 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.9 t -69.64 -46.65 74.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mt -70.48 -39.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.69 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.358 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.2 t80 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.865 0.364 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.39 -42.27 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.97 -26.93 68.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.356 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.8 tt -95.79 -13.28 24.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.275 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.83 76.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.781 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 mmt -69.33 -45.1 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.648 0.261 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.39 97.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.19 -44.26 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.301 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -64.01 -41.94 97.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -40.37 82.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.22 -42.59 88.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.291 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.57 -32.26 64.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.639 0.257 . . . . 0.0 111.206 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.0 73.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.759 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.06 -55.21 19.05 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.7 Cg_endo -72.27 -24.97 19.18 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.228 1.952 . . . . 0.0 112.578 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 14' ' ' LEU . 70.6 t -69.43 -48.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.754 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -70.03 -40.89 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.19 85.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.754 179.441 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.773 0.321 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.93 74.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -66.21 -29.74 70.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.377 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 6' ' ' LEU . 6.6 tt -91.04 -13.54 33.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.064 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.89 -49.04 57.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.734 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.5 -42.46 74.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.683 0.278 . . . . 0.0 111.163 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.23 87.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.17 -43.99 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 21.0 m95 -63.79 -42.26 97.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.723 0.297 . . . . 0.0 111.204 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -68.22 -40.44 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.917 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.29 -43.05 92.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.49 -30.45 63.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 0.0 110.598 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.76 73.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.636 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.31 -55.5 18.45 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -71.95 -25.95 19.18 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.153 1.902 . . . . 0.0 112.483 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.8 t -68.71 -46.71 79.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 110.625 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.1 mt -70.37 -41.74 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.888 179.491 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -42.73 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.56 -29.08 68.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.595 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.6 tt -93.2 -13.14 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.095 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 -46.4 62.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.867 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -70.14 -44.26 69.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.603 0.24 . . . . 0.0 111.38 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.66 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 111.052 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.35 -46.11 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.287 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 20.1 m95 -62.95 -42.87 99.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.737 0.303 . . . . 0.0 111.219 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -40.15 82.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.014 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.98 -42.77 89.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.261 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.6 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.35 -30.51 63.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.768 0.318 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -34.96 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.631 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.35 -55.11 20.33 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.7 Cg_endo -72.4 -27.06 16.46 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.227 1.951 . . . . 0.0 112.509 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 14' ' ' LEU . 55.1 t -67.5 -48.62 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.6 mt -70.11 -37.1 71.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.08 82.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.321 -179.881 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.29 83.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.17 -36.91 85.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.411 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 6' ' ' LEU . 5.6 tt -84.49 -13.51 51.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.207 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.21 62.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.906 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.71 -48.23 67.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 111.381 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.38 95.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.03 -45.63 69.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.327 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -62.76 -40.76 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.697 0.284 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -40.12 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.59 -42.49 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.417 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -72.99 -30.28 63.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 110.529 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.66 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.416 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.13 -55.88 16.34 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.803 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.61 -25.84 20.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.19 1.927 . . . . 0.0 112.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.7 t -68.19 -48.3 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.055 0.455 . . . . 0.0 110.596 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mt -70.21 -38.23 73.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.62 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.318 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.874 0.368 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.66 -42.73 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.5 -33.72 75.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.5 tt -87.66 -13.46 42.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -49.0 53.92 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -66.98 -45.23 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.056 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.67 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.23 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.37 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -63.21 -40.55 97.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -40.12 82.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.713 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.44 -42.98 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.38 -30.15 63.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.714 0.292 . . . . 0.0 110.735 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.01 73.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.532 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -46.95 -55.14 16.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.818 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.2 Cg_endo -71.47 -24.64 22.2 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.149 1.899 . . . . 0.0 112.367 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 14' ' ' LEU . 81.0 t -70.07 -48.12 64.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.5 mt -70.06 -42.64 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.961 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.46 77.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.034 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.384 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.87 81.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.09 -39.37 86.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.9 tt -82.31 -13.25 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.61 75.65 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.653 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -72.8 -41.62 64.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.693 0.282 . . . . 0.0 111.016 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.2 90.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.776 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.39 -44.97 70.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.408 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 15.7 m95 -63.57 -43.05 98.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.73 0.3 . . . . 0.0 111.203 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.55 83.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.899 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -42.74 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.207 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.39 -30.33 63.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.603 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.67 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.778 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.42 -54.88 22.15 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -72.75 -26.69 15.71 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.165 1.91 . . . . 0.0 112.47 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 14' ' ' LEU . 62.6 t -68.97 -46.95 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.25 -42.65 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.84 -35.33 74.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.114 179.699 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.747 0.308 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -65.16 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 6' ' ' LEU . 5.7 tt -90.7 -13.3 34.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.997 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.42 -42.25 93.94 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -72.41 -44.34 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.641 0.258 . . . . 0.0 111.216 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.36 97.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.956 0.408 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -69.33 -46.29 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.413 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 21.1 m95 -62.59 -41.6 99.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -68.34 -40.39 81.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.33 -43.13 91.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.24 -30.06 63.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.71 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.588 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.22 -55.5 15.6 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.29 -25.03 22.37 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.074 1.85 . . . . 0.0 112.265 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 14' ' ' LEU . 85.2 t -70.19 -45.55 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.37 -44.14 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.57 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.27 179.753 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.97 79.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.17 -36.68 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.522 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.3 tt -85.86 -12.99 49.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -51.96 32.25 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.892 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.04 -45.47 85.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.63 0.252 . . . . 0.0 111.312 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.2 94.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.365 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.32 -43.13 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.427 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.414 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 29.8 m95 -64.94 -42.79 94.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.29 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -40.16 82.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.75 -42.64 85.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.07 -30.36 63.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.6 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.435 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.77 -55.89 15.48 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.836 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.0 Cg_endo -71.61 -25.12 21.19 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.119 1.88 . . . . 0.0 112.378 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 14' ' ' LEU . 77.2 t -68.87 -48.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.038 0.447 . . . . 0.0 110.728 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.2 mt -70.48 -37.81 71.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.59 85.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.086 179.732 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.821 0.343 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.0 81.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.86 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.81 -37.59 76.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.5 tt -83.9 -13.47 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.149 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.79 -43.28 67.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 mmt -71.53 -45.71 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.274 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.75 99.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.02 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -69.38 -44.42 71.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -64.56 -42.28 95.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 110.987 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -40.4 82.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.44 -42.72 87.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.601 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.31 -30.58 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.758 0.313 . . . . 0.0 110.666 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 -34.72 73.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.563 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -55.84 14.8 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 55.6 Cg_endo -71.57 -25.81 20.58 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.139 1.893 . . . . 0.0 112.499 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 14' ' ' LEU . 74.3 t -70.08 -47.55 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.338 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.12 -43.7 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.36 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -36.43 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.201 179.768 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.07 -42.01 81.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.31 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 6' ' ' LEU . 5.2 tt -79.46 -13.34 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.094 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.35 -49.03 54.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.746 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.09 -45.96 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.608 0.242 . . . . 0.0 111.348 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 111.38 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.25 -44.68 71.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CE3' HD21 ' A' ' 14' ' ' LEU . 27.0 m95 -63.62 -42.74 98.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.1 -40.06 82.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -43.1 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -73.51 -30.42 63.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.362 . . . . 0.0 110.724 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.73 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.643 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.29 20.51 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.4 Cg_endo -72.53 -26.71 16.42 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.224 1.949 . . . . 0.0 112.576 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 56.1 t -68.39 -47.56 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.418 . . . . 0.0 110.94 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.2 mt -70.27 -47.84 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.192 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.64 76.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.22 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.394 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.9 ttm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.809 0.337 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.33 126.38 55.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.457 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -63.7 -33.41 75.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.676 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.13 73.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.69 -30.56 71.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.36 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.6 tt -91.35 -13.03 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.033 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.08 -44.96 64.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.658 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -70.58 -41.74 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.82 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.7 -43.17 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.409 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 19.3 m95 -65.63 -43.05 90.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 111.008 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.81 -39.97 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.839 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.13 -43.05 88.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.54 -30.5 63.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.351 . . . . 0.0 110.522 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.43 72.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.528 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.71 18.47 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 59.0 Cg_endo -72.75 -25.71 16.8 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.107 1.871 . . . . 0.0 112.554 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.9 t -69.17 -49.19 63.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.46 -44.07 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.987 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.06 83.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.143 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.37 -45.56 78.16 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.306 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.22 -36.74 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.599 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.42 -34.83 79.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -59.03 -46.5 88.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.2 m -62.25 -38.11 87.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 85.2 mtp -64.92 -48.32 74.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.3 -43.68 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.275 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 24' ' ' ALA . 97.3 t -64.71 -43.23 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.862 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.49 -40.17 86.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.687 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -64.5 -47.31 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.533 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.534 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 24.2 mt -63.49 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -67.46 -22.46 65.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.957 0.408 . . . . 0.0 110.412 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -82.48 -26.06 32.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.595 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.534 ' HG3' ' HA ' ' A' ' 31' ' ' LEU . 16.7 mtm180 -72.44 -18.63 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.017 -179.674 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 ttm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.783 0.325 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.08 125.46 38.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.37 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.05 -33.84 76.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.551 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.41 84.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.665 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.86 -35.16 79.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tt -86.65 -13.07 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.059 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.07 -46.01 68.41 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.594 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 mmt -68.13 -47.33 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.605 0.241 . . . . 0.0 111.328 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.88 96.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.764 0.316 . . . . 0.0 111.346 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.96 -42.92 75.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.308 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 18.1 m95 -65.0 -41.05 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.293 . . . . 0.0 111.06 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -40.29 82.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.26 -42.89 83.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.35 -30.29 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.97 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.77 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -54.85 18.95 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 59.5 Cg_endo -73.18 -25.06 16.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.255 1.97 . . . . 0.0 112.642 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 14' ' ' LEU . 67.0 t -70.14 -48.31 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.309 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.04 -41.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.348 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.12 80.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.256 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.43 -45.63 67.51 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.0 mt -68.43 -38.51 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.3 tp -62.96 -37.9 88.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.585 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -63.53 -36.1 82.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.759 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.8 m -62.24 -47.64 83.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.7 mtm -58.35 -40.24 81.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.47 -45.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.688 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 24' ' ' ALA . 86.5 t -62.94 -45.75 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.239 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -60.29 -38.6 84.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.755 0.312 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.472 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 11.6 t90 -66.45 -50.45 63.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.102 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD23 ' HD3' ' A' ' 34' ' ' ARG . 22.6 mt -64.7 -30.62 71.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.593 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -74.93 -16.92 60.63 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -100.86 -28.08 12.97 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.494 -179.277 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' HD3' HD23 ' A' ' 31' ' ' LEU . 14.1 ptm180 -83.21 18.17 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.7 pttp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.466 -0.778 . . . . 0.0 111.107 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.843 0.354 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.59 127.39 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.48 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -63.89 -33.83 76.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.698 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.65 90.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.767 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.599 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.4 tt -79.67 -13.12 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.436 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.86 -46.36 60.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.861 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.8 -44.8 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.59 0.233 . . . . 0.0 111.255 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -69.11 -43.34 74.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.28 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 13.2 m95 -64.89 -42.76 94.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.736 0.303 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -39.82 84.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.74 -42.74 77.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.547 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -73.24 -30.76 63.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.627 0.251 . . . . 0.0 111.057 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.9 73.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.68 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.18 -55.25 19.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.2 Cg_endo -72.32 -25.9 17.99 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.287 1.991 . . . . 0.0 112.553 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 59.9 t -69.85 -47.69 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.95 -42.0 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.183 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.46 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.22 -45.48 70.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.312 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.1 mt -68.13 -36.61 75.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.923 0.392 . . . . 0.0 110.779 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.81 -38.88 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.349 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -61.26 -36.29 79.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.742 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.5 t -64.52 -38.92 92.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.416 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.665 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 69.3 mtm -69.93 -38.33 76.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.925 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.0 -41.57 89.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 24' ' ' ALA . 98.7 t -68.68 -54.09 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.188 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.665 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 27.8 p30 -60.37 -27.23 67.25 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.043 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -70.73 -51.18 28.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 110.164 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.562 HD23 ' HD2' ' A' ' 34' ' ' ARG . 21.8 mt -64.87 -28.16 69.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.831 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 32' ' ' ASN . 11.5 m120 -66.97 -40.25 87.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.738 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 34' ' ' ARG . 2.6 pttp -74.18 -33.48 63.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.381 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.562 ' HD2' HD23 ' A' ' 31' ' ' LEU . 7.7 ptp180 -91.39 -1.68 57.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.754 0.312 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.113 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.841 0.353 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.13 137.8 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.328 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.6 -34.61 78.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.61 -40.75 76.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -70.4 -32.85 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.942 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 6' ' ' LEU . 5.5 tt -89.47 -13.56 37.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.542 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.27 61.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.445 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -71.53 -43.2 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.24 93.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -69.21 -47.06 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.26 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -62.0 -41.98 98.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.628 0.251 . . . . 0.0 111.253 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -40.27 84.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.29 -43.2 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -74.1 -30.68 62.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 111.072 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.06 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.809 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.05 -54.71 22.32 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.69 -25.49 17.23 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.205 1.937 . . . . 0.0 112.548 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.4 t -69.56 -48.41 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.242 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.9 mt -69.83 -41.67 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.271 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.49 -45.6 95.55 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.6 mt -68.18 -36.39 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.431 . . . . 0.0 110.713 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.37 -35.26 78.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.743 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -61.33 -46.88 88.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 t -59.83 -34.23 72.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.673 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 77.9 mtp -70.1 -43.96 69.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.829 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.94 -41.27 85.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.051 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 24' ' ' ALA . 58.5 t -68.14 -46.09 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.955 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.673 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 11.4 p30 -62.68 -27.19 69.08 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.913 0.387 . . . . 0.0 110.665 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.511 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 10.3 t90 -70.74 -50.89 31.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.535 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.595 HD23 ' HD3' ' A' ' 34' ' ' ARG . 22.6 mt -65.29 -28.95 69.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.507 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.29 -39.59 71.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.957 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -80.24 -39.42 29.05 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.066 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HD3' HD23 ' A' ' 31' ' ' LEU . 11.0 ptm180 -71.27 -40.82 70.71 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.818 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 35.1 pttt . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.991 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.865 0.364 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.81 128.2 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.277 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.82 -33.56 75.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.675 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.98 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -69.71 -37.66 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.42 -13.1 58.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.155 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.94 -47.17 48.41 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.742 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.54 -45.11 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.582 0.23 . . . . 0.0 111.536 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.02 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.25 -46.22 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.342 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -61.54 -40.47 94.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.86 -39.99 83.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.98 -43.07 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.438 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.7 -30.75 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -35.1 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.719 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.91 -54.91 20.24 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.0 Cg_endo -72.57 -28.72 14.06 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.216 1.944 . . . . 0.0 112.627 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.7 t -66.73 -46.74 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.9 mt -70.19 -44.84 77.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.079 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.94 73.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.97 -45.43 73.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.98 -39.77 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -65.43 -39.45 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -62.56 -39.82 94.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.642 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -63.28 -34.77 78.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.487 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.665 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 71.1 mtm -69.89 -43.38 71.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.748 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.38 -41.18 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 110.051 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 24' ' ' ALA . 94.3 t -68.46 -41.01 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.082 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.665 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 9.0 p30 -64.79 -28.61 69.69 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.989 0.423 . . . . 0.0 110.336 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.448 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 9.0 t90 -70.91 -50.62 32.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.487 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD23 ' HD2' ' A' ' 34' ' ' ARG . 53.1 mt -63.95 -28.44 69.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -74.3 -21.13 59.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.788 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 2.3 pptp? -101.45 -1.63 32.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.624 0.249 . . . . 0.0 111.367 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HD2' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.16 5.1 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.002 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.95 -179.672 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 tpp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 126.1 53.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.491 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.05 -34.38 77.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.941 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.81 -42.43 77.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -67.93 -35.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.5 tt -85.42 -13.27 49.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.4 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.93 -50.87 32.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.696 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -68.36 -39.57 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.649 0.261 . . . . 0.0 111.093 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.3 82.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.38 -43.87 72.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.269 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -63.85 -41.91 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.705 0.288 . . . . 0.0 111.234 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.25 -40.43 81.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.69 -42.93 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.49 -30.32 63.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.81 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.52 -55.58 18.64 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.29 -25.27 18.78 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.19 1.926 . . . . 0.0 112.479 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.0 t -70.09 -47.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.8 mt -70.03 -39.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.05 89.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.398 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.69 -45.77 93.66 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.626 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.3 mt -68.17 -36.2 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.77 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.5 tp -61.18 -38.03 85.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.394 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.05 93.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.94 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.3 m -61.93 -35.25 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.639 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 65.0 mtm -69.75 -41.58 75.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.832 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.51 -41.86 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.055 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.74 -43.33 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.936 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.639 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 7.3 p30 -61.67 -28.19 69.22 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.032 0.444 . . . . 0.0 110.25 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.445 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 11.6 t90 -71.01 -50.57 32.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.754 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -28.0 69.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.972 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -65.46 -13.31 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.451 . . . . 0.0 110.181 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -91.92 -26.24 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.657 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -116.56 76.39 1.02 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.839 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.637 ' H ' ' HD3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 ttm . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.47 125.48 53.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.63 -33.19 75.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.47 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.07 -36.87 80.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.3 tt -84.37 -13.16 53.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.93 37.42 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.606 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.94 -42.87 84.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.644 0.259 . . . . 0.0 111.127 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.22 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.233 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.27 -42.13 75.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -65.94 -41.46 91.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -67.94 -39.96 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.754 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.85 -42.8 85.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.023 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.7 pp -73.3 -30.59 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.739 0.304 . . . . 0.0 110.542 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.49 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.488 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.21 -56.03 13.74 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.819 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.9 Cg_endo -71.74 -24.35 21.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.17 1.913 . . . . 0.0 112.451 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.3 t -69.72 -48.67 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.61 -38.02 71.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.509 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.82 -45.89 93.13 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.328 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.7 -36.55 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 110.84 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.9 tp -65.99 -35.07 79.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.066 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -59.32 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.762 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 t -60.83 -32.43 71.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.499 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 84.7 mtp -68.85 -44.49 73.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.635 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.9 -43.09 98.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 24' ' ' ALA . 64.6 t -64.9 -45.71 93.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -58.8 -40.28 83.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.689 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -64.96 -47.41 77.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.539 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD23 ' HD3' ' A' ' 34' ' ' ARG . 25.2 mt -63.14 -28.48 70.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.073 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -70.33 -22.39 62.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 35' ' ' LYS . 41.3 tttm -85.72 -47.98 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.333 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' HD3' HD23 ' A' ' 31' ' ' LEU . 12.2 ptm180 -75.8 24.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.432 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 33' ' ' LYS . 42.1 pttt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.72 134.39 40.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.421 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -63.67 -33.62 76.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.694 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.88 80.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.759 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.8 -34.64 78.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.9 tt -88.65 -13.2 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 -42.1 88.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -71.35 -50.67 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.609 0.242 . . . . 0.0 111.356 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.7 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.51 -47.54 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.217 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -39.73 83.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.71 -42.87 81.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.415 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.12 -30.47 63.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.673 0.273 . . . . 0.0 110.743 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.92 73.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.555 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.54 -55.27 17.32 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.5 Cg_endo -71.39 -25.59 21.4 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.128 1.885 . . . . 0.0 112.347 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.3 t -69.56 -47.95 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.87 -37.17 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.49 78.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.738 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.56 -45.37 77.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.195 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.17 -36.96 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.682 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 50.8 tp -65.38 -37.85 88.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.509 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -64.25 -39.27 93.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -61.69 -37.42 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 66.0 mtm -68.59 -37.1 79.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.21 -43.37 84.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.885 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.409 HG12 HD21 ' A' ' 32' ' ' ASN . 93.8 t -65.02 -41.75 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -59.67 -44.2 93.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -63.57 -46.13 87.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.834 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.616 HD23 ' HD3' ' A' ' 34' ' ' ARG . 22.5 mt -62.54 -32.01 72.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.409 HD21 HG12 ' A' ' 28' ' ' VAL . 95.3 m-20 -67.7 -17.41 64.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.746 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -87.3 -35.01 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.616 ' HD3' HD23 ' A' ' 31' ' ' LEU . 15.4 ptm180 -92.57 24.15 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.705 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.582 -0.723 . . . . 0.0 111.15 -179.835 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.5 tpp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.09 129.78 36.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.457 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.06 -34.64 78.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.75 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.68 -42.7 73.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.51 -32.07 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.2 tt -88.87 -13.37 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.279 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.85 -48.93 58.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.652 0.263 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.16 95.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.377 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.14 -47.11 65.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.271 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CE3' HD21 ' A' ' 14' ' ' LEU . 23.6 m95 -60.57 -41.18 94.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -40.16 82.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.938 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.8 -42.78 85.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.382 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 pp -73.08 -30.44 63.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.54 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -34.59 75.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.447 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.501 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.19 -55.93 16.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 54.5 Cg_endo -71.18 -25.44 22.26 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.094 1.862 . . . . 0.0 112.495 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.6 t -68.73 -48.72 69.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.702 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -69.91 -43.45 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.82 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.853 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.65 97.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.114 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.5 mt -67.72 -39.28 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.848 0.356 . . . . 0.0 110.606 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.35 -34.91 78.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.483 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.68 98.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.548 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.1 t -59.94 -34.92 73.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.524 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 80.2 mtp -67.16 -43.59 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.55 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.04 -43.82 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.905 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.11 -42.04 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.92 -35.23 76.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.0 110.562 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -69.89 -48.78 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.004 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.545 HD23 ' HD3' ' A' ' 34' ' ' ARG . 15.7 mt -62.6 -33.38 74.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.322 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.59 -13.07 62.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -92.42 -43.68 9.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.545 ' HD3' HD23 ' A' ' 31' ' ' LEU . 14.3 ptm180 -82.25 24.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.183 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 tpp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.834 0.349 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.44 129.73 53.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.418 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.25 -36.29 83.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.07 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.71 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.93 -34.74 75.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.2 tt -85.94 -13.65 47.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.482 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.84 15.13 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.515 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.0 mmt -64.32 -46.07 85.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.613 0.244 . . . . 0.0 111.363 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.528 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -69.41 -45.92 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -61.76 -39.75 92.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.673 0.273 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -40.28 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.18 -42.91 83.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.416 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.7 pp -72.93 -30.29 63.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 110.671 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.59 75.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.47 -55.94 14.64 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.887 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 55.8 Cg_endo -71.25 -25.14 22.38 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.139 1.892 . . . . 0.0 112.492 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.9 t -69.64 -46.65 74.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mt -70.48 -39.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.69 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.6 -45.81 65.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.6 -37.31 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.789 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.9 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.994 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -62.13 -44.09 97.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.319 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.2 m -61.92 -37.92 86.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 71.4 mtm -65.72 -41.13 92.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.4 mt -66.88 -42.43 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 24' ' ' ALA . 77.9 t -67.21 -37.92 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.0 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -64.55 -38.91 92.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.646 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -70.03 -48.24 58.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.904 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.569 HD23 ' HD3' ' A' ' 34' ' ' ARG . 19.7 mt -60.74 -37.65 82.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -70.63 -14.45 62.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.5 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -90.66 -36.93 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.718 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.569 ' HD3' HD23 ' A' ' 31' ' ' LEU . 13.8 ptm180 -83.61 28.38 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.7 pttp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.156 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.859 0.361 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 142.0 32.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.517 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -63.83 -35.75 81.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.376 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.39 -42.27 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.97 -26.93 68.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.356 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.8 tt -95.79 -13.28 24.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.275 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.83 76.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.781 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 mmt -69.33 -45.1 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.648 0.261 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.39 97.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.19 -44.26 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.301 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -64.01 -41.94 97.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -40.37 82.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.22 -42.59 88.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.291 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.57 -32.26 64.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.639 0.257 . . . . 0.0 111.206 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.0 73.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.759 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.06 -55.21 19.05 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.7 Cg_endo -72.27 -24.97 19.18 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.228 1.952 . . . . 0.0 112.578 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 14' ' ' LEU . 70.6 t -69.43 -48.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.754 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -70.03 -40.89 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.19 85.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.48 -43.72 98.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.754 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.98 -36.25 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.222 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.0 tp -65.23 -34.48 78.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.45 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -63.78 -42.07 97.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.0 p -65.09 -34.69 79.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 69.4 mtm -67.86 -40.93 83.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.717 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.72 -42.78 93.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 24' ' ' ALA . 94.2 t -64.58 -42.97 96.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.664 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.09 -34.27 74.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.555 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.419 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 9.6 t90 -69.82 -50.08 46.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.788 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 33.4 mt -63.84 -28.93 70.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.242 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.22 -15.47 61.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.994 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -102.59 -20.88 14.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.707 0.289 . . . . 0.0 111.083 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 8.0 ptm180 -100.55 12.77 36.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.138 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.817 0.342 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.99 131.1 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.334 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -64.1 -34.0 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.93 74.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -66.21 -29.74 70.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.377 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 6' ' ' LEU . 6.6 tt -91.04 -13.54 33.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.064 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.89 -49.04 57.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.734 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.5 -42.46 74.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.683 0.278 . . . . 0.0 111.163 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.23 87.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.17 -43.99 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 21.0 m95 -63.79 -42.26 97.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.723 0.297 . . . . 0.0 111.204 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -68.22 -40.44 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.917 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.29 -43.05 92.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.49 -30.45 63.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 0.0 110.598 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.76 73.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.636 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.31 -55.5 18.45 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -71.95 -25.95 19.18 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.153 1.902 . . . . 0.0 112.483 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.8 t -68.71 -46.71 79.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 110.625 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.1 mt -70.37 -41.74 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.61 -44.43 95.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.888 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.1 mt -67.63 -36.36 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.953 0.406 . . . . 0.0 110.432 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 54.3 tp -64.85 -36.39 84.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.59 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.93 92.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m -64.98 -39.29 93.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 67.9 mtm -66.66 -36.38 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.832 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.1 mt -67.98 -45.04 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.813 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.49 -46.72 89.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.002 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -57.56 -37.75 73.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -67.97 -47.0 69.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.544 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD23 ' HD3' ' A' ' 34' ' ' ARG . 13.6 mt -63.1 -29.85 71.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -71.32 -15.72 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -88.95 -42.06 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' HD3' HD23 ' A' ' 31' ' ' LEU . 15.6 ptm180 -84.85 32.39 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.3 pttp . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.542 -0.742 . . . . 0.0 111.095 179.913 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 tpp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.987 0.422 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.76 121.75 36.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -61.85 -32.99 73.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.558 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -42.73 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.56 -29.08 68.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.595 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.6 tt -93.2 -13.14 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.095 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 -46.4 62.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.867 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -70.14 -44.26 69.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.603 0.24 . . . . 0.0 111.38 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.66 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 111.052 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.35 -46.11 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.287 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 20.1 m95 -62.95 -42.87 99.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.737 0.303 . . . . 0.0 111.219 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -40.15 82.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.014 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.98 -42.77 89.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.261 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.35 -30.51 63.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.768 0.318 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -34.96 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.631 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.35 -55.11 20.33 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.7 Cg_endo -72.4 -27.06 16.46 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.227 1.951 . . . . 0.0 112.509 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 14' ' ' LEU . 55.1 t -67.5 -48.62 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.6 mt -70.11 -37.1 71.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.08 82.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.0 -46.23 59.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.321 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.79 -36.52 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.546 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.03 -36.18 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.65 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.7 m -63.35 -33.19 74.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 82.4 mtp -69.44 -43.94 72.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.76 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.23 -41.55 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.28 -48.33 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.826 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -58.15 -37.24 74.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -69.82 -49.23 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD23 ' HD3' ' A' ' 34' ' ' ARG . 13.2 mt -62.81 -27.91 69.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.306 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -71.96 -14.11 61.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.78 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -90.17 -48.83 6.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HD3' HD23 ' A' ' 31' ' ' LEU . 14.0 ptm180 -75.63 -43.08 49.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.976 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.128 179.742 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.71 134.41 51.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.446 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -64.07 -33.67 76.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.48 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.29 83.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.17 -36.91 85.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.411 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 6' ' ' LEU . 5.6 tt -84.49 -13.51 51.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.207 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.21 62.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.906 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.71 -48.23 67.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 111.381 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.38 95.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.03 -45.63 69.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.327 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -62.76 -40.76 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.697 0.284 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -40.12 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.59 -42.49 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.417 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -72.99 -30.28 63.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 110.529 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.66 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.416 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.13 -55.88 16.34 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.803 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.61 -25.84 20.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.19 1.927 . . . . 0.0 112.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.7 t -68.19 -48.3 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.055 0.455 . . . . 0.0 110.596 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mt -70.21 -38.23 73.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.62 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.02 -46.03 68.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.318 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.72 -38.54 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.609 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 60.9 tp -64.28 -38.11 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -62.26 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.938 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.6 m -60.47 -37.11 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 66.2 mtm -69.08 -38.0 78.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.86 -42.3 88.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 24' ' ' ALA . 97.3 t -66.57 -42.36 89.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.03 -39.27 81.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.903 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -69.71 -47.58 62.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.112 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD23 ' HD3' ' A' ' 34' ' ' ARG . 29.8 mt -63.27 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.342 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -69.46 -13.76 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.637 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -91.87 -39.37 11.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.487 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' HD3' HD23 ' A' ' 31' ' ' LEU . 11.7 ptm180 -90.86 21.31 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.188 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 ttp . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.36 122.54 48.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.237 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -63.9 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.66 -42.73 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.5 -33.72 75.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.5 tt -87.66 -13.46 42.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -49.0 53.92 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -66.98 -45.23 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.056 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.67 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.23 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.37 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -63.21 -40.55 97.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -40.12 82.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.713 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.44 -42.98 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.38 -30.15 63.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.714 0.292 . . . . 0.0 110.735 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.01 73.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.532 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -46.95 -55.14 16.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.818 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.2 Cg_endo -71.47 -24.64 22.2 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.149 1.899 . . . . 0.0 112.367 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 14' ' ' LEU . 81.0 t -70.07 -48.12 64.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.5 mt -70.06 -42.64 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.961 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.46 77.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.034 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.56 84.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.384 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.6 mt -68.24 -42.48 84.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.349 . . . . 0.0 110.967 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.0 tp -63.82 -37.76 88.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -64.67 -38.91 92.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.9 m -63.72 -39.69 94.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.421 ' HB2' ' HE3' ' A' ' 26' ' ' MET . 65.9 mtm -67.57 -41.84 83.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.9 -42.01 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 24' ' ' ALA . 85.6 t -67.7 -40.94 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.82 -42.19 97.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -66.59 -49.86 64.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.286 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.523 HD23 ' HD3' ' A' ' 34' ' ' ARG . 23.1 mt -63.23 -40.27 96.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.466 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.8 -15.09 63.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.382 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -88.26 -34.75 17.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.433 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.523 ' HD3' HD23 ' A' ' 31' ' ' LEU . 12.7 ptm180 -93.75 -4.59 50.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.079 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.51 131.99 52.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.04 -33.59 76.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.87 81.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.09 -39.37 86.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.9 tt -82.31 -13.25 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.61 75.65 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.653 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -72.8 -41.62 64.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.693 0.282 . . . . 0.0 111.016 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.2 90.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.776 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.39 -44.97 70.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.408 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 15.7 m95 -63.57 -43.05 98.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.73 0.3 . . . . 0.0 111.203 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.55 83.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.899 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -42.74 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.207 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.39 -30.33 63.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.603 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.67 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.778 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.42 -54.88 22.15 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -72.75 -26.69 15.71 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.165 1.91 . . . . 0.0 112.47 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 14' ' ' LEU . 62.6 t -68.97 -46.95 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.25 -42.65 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.84 -35.33 74.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.79 -45.07 90.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.114 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.14 -38.63 80.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.816 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 52.5 tp -64.12 -35.78 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.458 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -64.65 -37.09 86.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.833 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -65.97 -37.82 86.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.426 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 68.4 mtm -69.65 -41.76 75.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.84 -42.54 96.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 24' ' ' ALA . 92.4 t -67.7 -49.64 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -58.47 -32.98 69.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.759 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 9.2 t90 -70.07 -50.26 42.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.774 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 22.6 mt -64.11 -28.12 69.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.66 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -67.47 -30.78 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.997 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -84.93 -18.85 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.559 0.219 . . . . 0.0 111.283 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 14.1 ptm180 -111.72 10.85 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.189 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.52 136.5 34.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.535 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.24 -34.34 77.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.698 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -65.16 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 6' ' ' LEU . 5.7 tt -90.7 -13.3 34.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.997 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.42 -42.25 93.94 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -72.41 -44.34 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.641 0.258 . . . . 0.0 111.216 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.36 97.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.956 0.408 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -69.33 -46.29 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.413 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 21.1 m95 -62.59 -41.6 99.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -68.34 -40.39 81.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.33 -43.13 91.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.24 -30.06 63.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.71 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.588 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.22 -55.5 15.6 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.29 -25.03 22.37 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.074 1.85 . . . . 0.0 112.265 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 14' ' ' LEU . 85.2 t -70.19 -45.55 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.37 -44.14 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.57 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.08 -45.11 93.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.27 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.8 mt -64.99 -39.36 85.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.956 0.407 . . . . 0.0 110.687 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.4 -36.61 82.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.632 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -63.04 -41.07 99.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.0 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -62.61 -36.5 82.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 70.7 mtm -68.77 -39.47 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.35 -42.89 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.736 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 24' ' ' ALA . 96.4 t -63.55 -44.59 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.568 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -59.68 -34.74 73.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.484 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.455 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 8.3 t90 -66.49 -48.4 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.427 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD23 ' HD3' ' A' ' 34' ' ' ARG . 24.4 mt -63.49 -27.96 69.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.354 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -66.7 -34.08 77.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.056 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -79.71 -21.26 44.82 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.665 0.269 . . . . 0.0 111.372 -179.452 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' HD3' HD23 ' A' ' 31' ' ' LEU . 8.3 ptm180 -105.65 -1.98 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.125 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.34 132.09 39.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.281 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.74 -33.62 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.63 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.97 79.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.17 -36.68 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.522 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.3 tt -85.86 -12.99 49.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -51.96 32.25 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.892 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.04 -45.47 85.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.63 0.252 . . . . 0.0 111.312 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.2 94.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.365 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.32 -43.13 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.427 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.414 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 29.8 m95 -64.94 -42.79 94.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.29 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -40.16 82.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.75 -42.64 85.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.07 -30.36 63.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.6 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.435 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.77 -55.89 15.48 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.836 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.0 Cg_endo -71.61 -25.12 21.19 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.119 1.88 . . . . 0.0 112.378 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 14' ' ' LEU . 77.2 t -68.87 -48.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.038 0.447 . . . . 0.0 110.728 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.2 mt -70.48 -37.81 71.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.59 85.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.4 -45.5 90.15 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.086 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.7 mt -68.25 -36.68 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.384 . . . . 0.0 110.748 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.23 -39.85 94.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.743 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -59.9 -43.89 94.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.6 t -62.02 -38.76 89.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.302 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 71.1 mtm -67.66 -42.17 82.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.201 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.63 -41.27 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 24' ' ' ALA . 92.7 t -67.74 -40.44 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.966 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -62.78 -38.11 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.521 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 8.5 t90 -69.38 -49.35 56.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 27.1 mt -63.95 -33.06 74.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.814 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -74.6 -28.74 61.04 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -90.09 -23.96 21.25 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.59 -179.346 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.597 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 11.6 ptm180 -86.5 19.44 2.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.1 pttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.069 -179.911 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.69 129.44 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.28 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -64.14 -33.67 76.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.462 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.0 81.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.86 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.81 -37.59 76.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.5 tt -83.9 -13.47 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.149 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.79 -43.28 67.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 mmt -71.53 -45.71 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.274 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.75 99.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.02 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -69.38 -44.42 71.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -64.56 -42.28 95.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 110.987 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -40.4 82.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.44 -42.72 87.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.601 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.31 -30.58 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.758 0.313 . . . . 0.0 110.666 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 -34.72 73.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.563 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -55.84 14.8 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 55.6 Cg_endo -71.57 -25.81 20.58 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.139 1.893 . . . . 0.0 112.499 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 14' ' ' LEU . 74.3 t -70.08 -47.55 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.338 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.12 -43.7 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.36 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -36.43 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.44 -44.86 92.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.201 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.0 mt -67.96 -36.31 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.641 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.37 -35.45 80.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.633 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.65 97.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.862 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.8 m -58.45 -34.94 71.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.435 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.97 -44.16 90.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.494 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.36 -46.5 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.861 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -40.57 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -62.66 -34.9 78.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -69.82 -49.74 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.013 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.98 -28.78 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.406 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -67.14 -23.45 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.964 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 39.3 tttm -80.19 -46.99 15.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -84.58 61.23 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.316 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.528 ' H ' ' HD3' ' A' ' 35' ' ' LYS . 3.1 mppt? . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.97 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 tpp . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.95 139.39 36.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.59 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -62.59 -34.13 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.005 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.07 -42.01 81.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.31 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 6' ' ' LEU . 5.2 tt -79.46 -13.34 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.094 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.35 -49.03 54.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.746 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.09 -45.96 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.608 0.242 . . . . 0.0 111.348 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 111.38 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.25 -44.68 71.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CE3' HD21 ' A' ' 14' ' ' LEU . 27.0 m95 -63.62 -42.74 98.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.1 -40.06 82.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -43.1 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -73.51 -30.42 63.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.362 . . . . 0.0 110.724 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.73 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.643 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.29 20.51 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.4 Cg_endo -72.53 -26.71 16.42 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.224 1.949 . . . . 0.0 112.576 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 56.1 t -68.39 -47.56 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.418 . . . . 0.0 110.94 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.2 mt -70.27 -47.84 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.192 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.64 76.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.22 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.7 -45.4 89.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.394 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.85 -38.85 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.746 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.99 -38.34 88.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -59.63 -42.77 93.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 m -65.59 -37.63 87.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.217 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 73.2 mtm -67.1 -41.5 86.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.56 -42.57 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 24' ' ' ALA . 99.4 t -67.59 -40.28 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.7 -46.37 87.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.935 0.398 . . . . 0.0 110.668 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -63.55 -44.5 93.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.777 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 44.4 mt -63.29 -31.53 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -70.59 -15.08 62.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.439 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -90.76 -37.51 13.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.387 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 11.0 ptm180 -93.37 -5.5 49.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.871 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 12.8 mptt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.825 0.345 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.13 73.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.69 -30.56 71.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.36 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.6 tt -91.35 -13.03 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.033 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.08 -44.96 64.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.658 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -70.58 -41.74 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.82 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.7 -43.17 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.409 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 19.3 m95 -65.63 -43.05 90.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 111.008 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.81 -39.97 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.839 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.13 -43.05 88.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.54 -30.5 63.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.351 . . . . 0.0 110.522 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.43 72.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.528 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.71 18.47 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 59.0 Cg_endo -72.75 -25.71 16.8 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.107 1.871 . . . . 0.0 112.554 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.9 t -69.17 -49.19 63.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.46 -44.07 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.987 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.06 83.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.143 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.234 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.306 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.41 84.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.665 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.86 -35.16 79.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tt -86.65 -13.07 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.059 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.07 -46.01 68.41 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.594 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 mmt -68.13 -47.33 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.605 0.241 . . . . 0.0 111.328 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.88 96.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.764 0.316 . . . . 0.0 111.346 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.96 -42.92 75.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.308 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 18.1 m95 -65.0 -41.05 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.293 . . . . 0.0 111.06 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -40.29 82.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.26 -42.89 83.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.35 -30.29 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.97 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.77 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -54.85 18.95 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 59.5 Cg_endo -73.18 -25.06 16.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.255 1.97 . . . . 0.0 112.642 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 14' ' ' LEU . 67.0 t -70.14 -48.31 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.309 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.04 -41.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.348 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.12 80.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.256 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.508 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.757 0.313 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.65 90.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.767 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.599 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 6' ' ' LEU . 3.4 tt -79.67 -13.12 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.436 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.86 -46.36 60.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.861 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.8 -44.8 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.59 0.233 . . . . 0.0 111.255 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -69.11 -43.34 74.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.28 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 13.2 m95 -64.89 -42.76 94.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.736 0.303 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -39.82 84.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.74 -42.74 77.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.547 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -73.24 -30.76 63.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.627 0.251 . . . . 0.0 111.057 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.9 73.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.68 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.18 -55.25 19.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.2 Cg_endo -72.32 -25.9 17.99 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.287 1.991 . . . . 0.0 112.553 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 59.9 t -69.85 -47.69 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.95 -42.0 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.183 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.46 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.312 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.808 0.337 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.61 -40.75 76.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -70.4 -32.85 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.942 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.5 tt -89.47 -13.56 37.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.542 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.27 61.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.445 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -71.53 -43.2 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.24 93.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -69.21 -47.06 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.26 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -62.0 -41.98 98.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.628 0.251 . . . . 0.0 111.253 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -40.27 84.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.29 -43.2 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -74.1 -30.68 62.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 111.072 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.06 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.809 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.05 -54.71 22.32 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.69 -25.49 17.23 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.205 1.937 . . . . 0.0 112.548 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.4 t -69.56 -48.41 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.242 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.9 mt -69.83 -41.67 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.271 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.341 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.872 0.368 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.98 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -69.71 -37.66 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.42 -13.1 58.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.155 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.94 -47.17 48.41 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.742 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.54 -45.11 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.582 0.23 . . . . 0.0 111.536 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.02 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.25 -46.22 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.342 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -61.54 -40.47 94.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.86 -39.99 83.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.98 -43.07 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.438 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.7 -30.75 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -35.1 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.719 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.91 -54.91 20.24 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.0 Cg_endo -72.57 -28.72 14.06 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.216 1.944 . . . . 0.0 112.627 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.7 t -66.73 -46.74 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.9 mt -70.19 -44.84 77.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.079 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.94 73.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.81 -42.43 77.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -67.93 -35.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.5 tt -85.42 -13.27 49.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.4 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.93 -50.87 32.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.696 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -68.36 -39.57 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.649 0.261 . . . . 0.0 111.093 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.3 82.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.38 -43.87 72.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.269 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -63.85 -41.91 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.705 0.288 . . . . 0.0 111.234 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.25 -40.43 81.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.69 -42.93 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.49 -30.32 63.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.81 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.52 -55.58 18.64 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.29 -25.27 18.78 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.19 1.926 . . . . 0.0 112.479 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.0 t -70.09 -47.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.8 mt -70.03 -39.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.05 89.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.398 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.23 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.626 -179.823 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.47 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.07 -36.87 80.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.3 tt -84.37 -13.16 53.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.93 37.42 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.606 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.94 -42.87 84.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.644 0.259 . . . . 0.0 111.127 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.22 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.233 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.27 -42.13 75.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -65.94 -41.46 91.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -67.94 -39.96 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.754 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.85 -42.8 85.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.023 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.7 pp -73.3 -30.59 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.739 0.304 . . . . 0.0 110.542 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.49 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.488 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.517 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.21 -56.03 13.74 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.819 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.9 Cg_endo -71.74 -24.35 21.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.17 1.913 . . . . 0.0 112.451 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.3 t -69.72 -48.67 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.61 -38.02 71.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.509 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.328 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.4 t80 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.743 0.306 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.88 80.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.759 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.8 -34.64 78.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.9 tt -88.65 -13.2 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 -42.1 88.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -71.35 -50.67 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.609 0.242 . . . . 0.0 111.356 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.7 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.51 -47.54 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.217 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -39.73 83.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.71 -42.87 81.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.415 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.12 -30.47 63.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.673 0.273 . . . . 0.0 110.743 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.92 73.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.555 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.54 -55.27 17.32 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.5 Cg_endo -71.39 -25.59 21.4 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.128 1.885 . . . . 0.0 112.347 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.3 t -69.56 -47.95 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.87 -37.17 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.49 78.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.738 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.195 179.664 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.786 0.327 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.68 -42.7 73.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.51 -32.07 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.2 tt -88.87 -13.37 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.279 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.85 -48.93 58.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.652 0.263 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.16 95.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.377 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.14 -47.11 65.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.271 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CE3' HD21 ' A' ' 14' ' ' LEU . 23.6 m95 -60.57 -41.18 94.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -40.16 82.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.938 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.8 -42.78 85.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.382 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 pp -73.08 -30.44 63.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.54 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -34.59 75.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.447 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.501 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.19 -55.93 16.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 54.5 Cg_endo -71.18 -25.44 22.26 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.094 1.862 . . . . 0.0 112.495 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.6 t -68.73 -48.72 69.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.702 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -69.91 -43.45 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.82 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.853 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.114 179.741 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.744 0.307 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.71 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.93 -34.74 75.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 6' ' ' LEU . 3.2 tt -85.94 -13.65 47.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.482 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.84 15.13 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.515 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.0 mmt -64.32 -46.07 85.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.613 0.244 . . . . 0.0 111.363 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.528 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -69.41 -45.92 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -61.76 -39.75 92.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.673 0.273 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -40.28 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.18 -42.91 83.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.416 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.7 pp -72.93 -30.29 63.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 110.671 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.59 75.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.47 -55.94 14.64 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.887 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 55.8 Cg_endo -71.25 -25.14 22.38 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.139 1.892 . . . . 0.0 112.492 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.9 t -69.64 -46.65 74.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mt -70.48 -39.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.69 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.358 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.2 t80 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.865 0.364 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.39 -42.27 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.97 -26.93 68.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.356 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.8 tt -95.79 -13.28 24.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.275 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.83 76.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.781 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 mmt -69.33 -45.1 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.648 0.261 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.39 97.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.19 -44.26 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.301 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -64.01 -41.94 97.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -40.37 82.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.22 -42.59 88.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.291 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.57 -32.26 64.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.639 0.257 . . . . 0.0 111.206 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.0 73.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.759 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.06 -55.21 19.05 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.7 Cg_endo -72.27 -24.97 19.18 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.228 1.952 . . . . 0.0 112.578 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 14' ' ' LEU . 70.6 t -69.43 -48.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.754 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -70.03 -40.89 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.19 85.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.754 179.441 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.773 0.321 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.93 74.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -66.21 -29.74 70.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.377 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.6 tt -91.04 -13.54 33.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.064 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.89 -49.04 57.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.734 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.5 -42.46 74.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.683 0.278 . . . . 0.0 111.163 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.23 87.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.17 -43.99 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 21.0 m95 -63.79 -42.26 97.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.723 0.297 . . . . 0.0 111.204 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -68.22 -40.44 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.917 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.29 -43.05 92.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.49 -30.45 63.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 0.0 110.598 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.76 73.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.636 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.31 -55.5 18.45 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -71.95 -25.95 19.18 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.153 1.902 . . . . 0.0 112.483 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.8 t -68.71 -46.71 79.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 110.625 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.1 mt -70.37 -41.74 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.888 179.491 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -42.73 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.56 -29.08 68.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.595 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.6 tt -93.2 -13.14 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.095 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 -46.4 62.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.867 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -70.14 -44.26 69.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.603 0.24 . . . . 0.0 111.38 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.66 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 111.052 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.35 -46.11 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.287 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 20.1 m95 -62.95 -42.87 99.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.737 0.303 . . . . 0.0 111.219 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -40.15 82.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.014 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.98 -42.77 89.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.261 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.6 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.35 -30.51 63.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.768 0.318 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -34.96 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.631 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.35 -55.11 20.33 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.7 Cg_endo -72.4 -27.06 16.46 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.227 1.951 . . . . 0.0 112.509 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 14' ' ' LEU . 55.1 t -67.5 -48.62 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.6 mt -70.11 -37.1 71.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.08 82.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.321 -179.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.29 83.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.17 -36.91 85.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.411 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.6 tt -84.49 -13.51 51.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.207 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.21 62.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.906 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.71 -48.23 67.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 111.381 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.38 95.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.03 -45.63 69.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.327 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -62.76 -40.76 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.697 0.284 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -40.12 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.59 -42.49 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.417 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -72.99 -30.28 63.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 110.529 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.66 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.416 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.13 -55.88 16.34 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.803 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.61 -25.84 20.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.19 1.927 . . . . 0.0 112.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.7 t -68.19 -48.3 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.055 0.455 . . . . 0.0 110.596 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mt -70.21 -38.23 73.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.62 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.318 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.874 0.368 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.66 -42.73 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.5 -33.72 75.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.5 tt -87.66 -13.46 42.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -49.0 53.92 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -66.98 -45.23 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.056 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.67 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.23 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.37 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -63.21 -40.55 97.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -40.12 82.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.713 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.44 -42.98 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.38 -30.15 63.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.714 0.292 . . . . 0.0 110.735 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.01 73.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.532 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -46.95 -55.14 16.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.818 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.2 Cg_endo -71.47 -24.64 22.2 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.149 1.899 . . . . 0.0 112.367 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 14' ' ' LEU . 81.0 t -70.07 -48.12 64.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.5 mt -70.06 -42.64 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.961 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.46 77.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.034 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.384 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.87 81.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.09 -39.37 86.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.9 tt -82.31 -13.25 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.61 75.65 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.653 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -72.8 -41.62 64.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.693 0.282 . . . . 0.0 111.016 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.2 90.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.776 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.39 -44.97 70.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.408 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 15.7 m95 -63.57 -43.05 98.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.73 0.3 . . . . 0.0 111.203 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.55 83.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.899 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -42.74 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.207 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.39 -30.33 63.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.603 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.67 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.778 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.42 -54.88 22.15 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -72.75 -26.69 15.71 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.165 1.91 . . . . 0.0 112.47 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 14' ' ' LEU . 62.6 t -68.97 -46.95 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.25 -42.65 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.84 -35.33 74.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.114 179.699 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.747 0.308 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -65.16 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.7 tt -90.7 -13.3 34.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.997 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.42 -42.25 93.94 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -72.41 -44.34 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.641 0.258 . . . . 0.0 111.216 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.36 97.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.956 0.408 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -69.33 -46.29 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.413 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 21.1 m95 -62.59 -41.6 99.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -68.34 -40.39 81.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.33 -43.13 91.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.24 -30.06 63.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.71 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.588 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.22 -55.5 15.6 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.29 -25.03 22.37 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.074 1.85 . . . . 0.0 112.265 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 14' ' ' LEU . 85.2 t -70.19 -45.55 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.37 -44.14 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.57 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.27 179.753 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.97 79.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.17 -36.68 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.522 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.3 tt -85.86 -12.99 49.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -51.96 32.25 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.892 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.04 -45.47 85.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.63 0.252 . . . . 0.0 111.312 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.2 94.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.365 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.32 -43.13 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.427 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.414 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 29.8 m95 -64.94 -42.79 94.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.29 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -40.16 82.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.75 -42.64 85.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.07 -30.36 63.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.6 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.435 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.77 -55.89 15.48 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.836 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.0 Cg_endo -71.61 -25.12 21.19 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.119 1.88 . . . . 0.0 112.378 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 14' ' ' LEU . 77.2 t -68.87 -48.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.038 0.447 . . . . 0.0 110.728 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.2 mt -70.48 -37.81 71.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.59 85.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.086 179.732 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.821 0.343 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.0 81.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.86 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.81 -37.59 76.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.5 tt -83.9 -13.47 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.149 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.79 -43.28 67.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 mmt -71.53 -45.71 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.274 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.75 99.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.02 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -69.38 -44.42 71.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -64.56 -42.28 95.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 110.987 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -40.4 82.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.44 -42.72 87.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.601 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.31 -30.58 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.758 0.313 . . . . 0.0 110.666 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 -34.72 73.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.563 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -55.84 14.8 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 55.6 Cg_endo -71.57 -25.81 20.58 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.139 1.893 . . . . 0.0 112.499 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 14' ' ' LEU . 74.3 t -70.08 -47.55 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.338 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.12 -43.7 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.36 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -36.43 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.201 179.768 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.07 -42.01 81.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.31 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.2 tt -79.46 -13.34 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.094 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.35 -49.03 54.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.746 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.09 -45.96 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.608 0.242 . . . . 0.0 111.348 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 111.38 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.25 -44.68 71.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CE3' HD21 ' A' ' 14' ' ' LEU . 27.0 m95 -63.62 -42.74 98.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.1 -40.06 82.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -43.1 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -73.51 -30.42 63.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.362 . . . . 0.0 110.724 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.73 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.643 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.29 20.51 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.4 Cg_endo -72.53 -26.71 16.42 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.224 1.949 . . . . 0.0 112.576 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 56.1 t -68.39 -47.56 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.418 . . . . 0.0 110.94 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.2 mt -70.27 -47.84 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.192 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.64 76.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.22 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.394 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.9 ttm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.809 0.337 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.33 126.38 55.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.457 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -63.7 -33.41 75.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.676 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.13 73.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.69 -30.56 71.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.36 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.6 tt -91.35 -13.03 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.033 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.08 -44.96 64.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.658 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -70.58 -41.74 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.82 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.7 -43.17 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.185 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.409 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 19.3 m95 -65.63 -43.05 90.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 111.008 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.81 -39.97 83.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.839 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.13 -43.05 88.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.54 -30.5 63.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.351 . . . . 0.0 110.522 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.43 72.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.528 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.71 18.47 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 59.0 Cg_endo -72.75 -25.71 16.8 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.107 1.871 . . . . 0.0 112.554 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.9 t -69.17 -49.19 63.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.5 mt -70.46 -44.07 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.987 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.06 83.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.143 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.37 -45.56 78.16 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.306 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.22 -36.74 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.599 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.42 -34.83 79.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -59.03 -46.5 88.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.2 m -62.25 -38.11 87.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 85.2 mtp -64.92 -48.32 74.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.3 -43.68 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.275 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.463 HG12 HD21 ' A' ' 32' ' ' ASN . 97.3 t -64.71 -43.23 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.862 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.49 -40.17 86.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.687 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -64.5 -47.31 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.533 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.534 ' HA ' ' HG3' ' A' ' 34' ' ' ARG . 24.2 mt -63.49 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.463 HD21 HG12 ' A' ' 28' ' ' VAL . 92.4 m-20 -67.46 -22.46 65.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.957 0.408 . . . . 0.0 110.412 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -82.48 -26.06 32.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.595 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.534 ' HG3' ' HA ' ' A' ' 31' ' ' LEU . 16.7 mtm180 -72.44 -18.63 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.017 -179.674 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 ttm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.783 0.325 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.08 125.46 38.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.37 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.05 -33.84 76.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.551 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.41 84.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.665 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.86 -35.16 79.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.245 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tt -86.65 -13.07 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.059 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.07 -46.01 68.41 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.594 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 mmt -68.13 -47.33 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.605 0.241 . . . . 0.0 111.328 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.88 96.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.764 0.316 . . . . 0.0 111.346 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.96 -42.92 75.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.308 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 18.1 m95 -65.0 -41.05 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.293 . . . . 0.0 111.06 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -40.29 82.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.26 -42.89 83.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.35 -30.29 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.97 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.77 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -54.85 18.95 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 59.5 Cg_endo -73.18 -25.06 16.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.255 1.97 . . . . 0.0 112.642 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 14' ' ' LEU . 67.0 t -70.14 -48.31 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.309 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.04 -41.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.348 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.12 80.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.256 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.43 -45.63 67.51 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.0 mt -68.43 -38.51 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.3 tp -62.96 -37.9 88.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.585 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -63.53 -36.1 82.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.759 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.8 m -62.24 -47.64 83.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.7 mtm -58.35 -40.24 81.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.47 -45.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.688 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 24' ' ' ALA . 86.5 t -62.94 -45.75 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.239 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -60.29 -38.6 84.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.755 0.312 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.472 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 11.6 t90 -66.45 -50.45 63.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.102 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD23 ' HD3' ' A' ' 34' ' ' ARG . 22.6 mt -64.7 -30.62 71.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.593 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -74.93 -16.92 60.63 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -100.86 -28.08 12.97 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.494 -179.277 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' HD3' HD23 ' A' ' 31' ' ' LEU . 14.1 ptm180 -83.21 18.17 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.7 pttp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.466 -0.778 . . . . 0.0 111.107 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.843 0.354 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.59 127.39 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.48 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -63.89 -33.83 76.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.698 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.65 90.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.767 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.599 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 6' ' ' LEU . 3.4 tt -79.67 -13.12 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.436 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 11' ' ' TRP . . . -68.86 -46.36 60.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.861 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.8 -44.8 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.59 0.233 . . . . 0.0 111.255 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.56 95.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -69.11 -43.34 74.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.28 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 13.2 m95 -64.89 -42.76 94.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.736 0.303 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -39.82 84.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.74 -42.74 77.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.547 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -73.24 -30.76 63.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.627 0.251 . . . . 0.0 111.057 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.9 73.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.68 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.18 -55.25 19.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.2 Cg_endo -72.32 -25.9 17.99 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.287 1.991 . . . . 0.0 112.553 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 59.9 t -69.85 -47.69 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.95 -42.0 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.183 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.46 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.22 -45.48 70.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.312 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.1 mt -68.13 -36.61 75.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.923 0.392 . . . . 0.0 110.779 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.81 -38.88 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.349 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -61.26 -36.29 79.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.742 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.5 t -64.52 -38.92 92.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.416 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.665 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 69.3 mtm -69.93 -38.33 76.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.925 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.0 -41.57 89.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 24' ' ' ALA . 98.7 t -68.68 -54.09 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.188 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.665 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 27.8 p30 -60.37 -27.23 67.25 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.043 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -70.73 -51.18 28.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 110.164 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.562 HD23 ' HD2' ' A' ' 34' ' ' ARG . 21.8 mt -64.87 -28.16 69.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.831 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 32' ' ' ASN . 11.5 m120 -66.97 -40.25 87.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.738 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 34' ' ' ARG . 2.6 pttp -74.18 -33.48 63.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.381 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.562 ' HD2' HD23 ' A' ' 31' ' ' LEU . 7.7 ptp180 -91.39 -1.68 57.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.754 0.312 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.113 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.841 0.353 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.13 137.8 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.328 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.6 -34.61 78.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.61 -40.75 76.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -70.4 -32.85 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.942 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.5 tt -89.47 -13.56 37.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.542 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.27 61.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.445 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -71.53 -43.2 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.24 93.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -69.21 -47.06 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.26 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -62.0 -41.98 98.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.628 0.251 . . . . 0.0 111.253 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -40.27 84.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.29 -43.2 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -74.1 -30.68 62.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 111.072 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.06 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.809 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.05 -54.71 22.32 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.69 -25.49 17.23 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.205 1.937 . . . . 0.0 112.548 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.4 t -69.56 -48.41 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.242 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.9 mt -69.83 -41.67 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.271 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.49 -45.6 95.55 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.6 mt -68.18 -36.39 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.431 . . . . 0.0 110.713 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.37 -35.26 78.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.743 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -61.33 -46.88 88.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 t -59.83 -34.23 72.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.673 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 77.9 mtp -70.1 -43.96 69.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.829 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.94 -41.27 85.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.051 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 24' ' ' ALA . 58.5 t -68.14 -46.09 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.955 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.673 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 11.4 p30 -62.68 -27.19 69.08 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.913 0.387 . . . . 0.0 110.665 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.511 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 10.3 t90 -70.74 -50.89 31.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.535 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.595 HD23 ' HD3' ' A' ' 34' ' ' ARG . 22.6 mt -65.29 -28.95 69.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.507 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -71.29 -39.59 71.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.957 -179.094 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -80.24 -39.42 29.05 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.066 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HD3' HD23 ' A' ' 31' ' ' LEU . 11.0 ptm180 -71.27 -40.82 70.71 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.818 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 34' ' ' ARG . 35.1 pttt . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.991 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.865 0.364 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.81 128.2 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.277 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.82 -33.56 75.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.675 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.98 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -69.71 -37.66 76.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.42 -13.1 58.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.155 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.94 -47.17 48.41 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.742 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.54 -45.11 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.582 0.23 . . . . 0.0 111.536 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.02 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -69.25 -46.22 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.342 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -61.54 -40.47 94.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.86 -39.99 83.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.98 -43.07 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.438 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.7 -30.75 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -35.1 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.719 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.91 -54.91 20.24 Favored Pre-proline 0 CA--C 1.536 0.406 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.0 Cg_endo -72.57 -28.72 14.06 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.216 1.944 . . . . 0.0 112.627 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.7 t -66.73 -46.74 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 111.036 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.9 mt -70.19 -44.84 77.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.079 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.46 -34.94 73.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.97 -45.43 73.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.98 -39.77 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -65.43 -39.45 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -62.56 -39.82 94.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.642 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -63.28 -34.77 78.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.487 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.665 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 71.1 mtm -69.89 -43.38 71.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.748 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.38 -41.18 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 110.051 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 24' ' ' ALA . 94.3 t -68.46 -41.01 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.082 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.665 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 9.0 p30 -64.79 -28.61 69.69 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.989 0.423 . . . . 0.0 110.336 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.448 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 9.0 t90 -70.91 -50.62 32.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.487 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD23 ' HD2' ' A' ' 34' ' ' ARG . 53.1 mt -63.95 -28.44 69.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.958 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.431 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -74.3 -21.13 59.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.788 -179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 2.3 pptp? -101.45 -1.63 32.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.624 0.249 . . . . 0.0 111.367 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HD2' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.16 5.1 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.002 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.95 -179.672 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 tpp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 126.1 53.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.491 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -64.05 -34.38 77.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.941 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.81 -42.43 77.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -67.93 -35.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 6' ' ' LEU . 3.5 tt -85.42 -13.27 49.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.4 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.93 -50.87 32.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.696 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -68.36 -39.57 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.649 0.261 . . . . 0.0 111.093 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.3 82.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.38 -43.87 72.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.269 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -63.85 -41.91 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.705 0.288 . . . . 0.0 111.234 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.25 -40.43 81.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.69 -42.93 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.49 -30.32 63.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.81 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 -34.71 74.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.52 -55.58 18.64 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.3 Cg_endo -72.29 -25.27 18.78 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.19 1.926 . . . . 0.0 112.479 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.0 t -70.09 -47.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.8 mt -70.03 -39.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.05 89.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.398 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.69 -45.77 93.66 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.626 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.3 mt -68.17 -36.2 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.77 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.5 tp -61.18 -38.03 85.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.394 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.05 93.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.94 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.3 m -61.93 -35.25 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.639 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 65.0 mtm -69.75 -41.58 75.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.832 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.51 -41.86 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.055 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.74 -43.33 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.936 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.639 ' ND2' ' HA ' ' A' ' 26' ' ' MET . 7.3 p30 -61.67 -28.19 69.22 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.032 0.444 . . . . 0.0 110.25 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.445 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 11.6 t90 -71.01 -50.57 32.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.754 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -28.0 69.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.972 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.433 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -65.46 -13.31 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.451 . . . . 0.0 110.181 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -91.92 -26.24 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.657 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -116.56 76.39 1.02 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.839 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.637 ' H ' ' HD3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 ttm . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.47 125.48 53.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.63 -33.19 75.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.47 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -68.07 -36.87 80.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.3 tt -84.37 -13.16 53.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.93 37.42 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.606 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.94 -42.87 84.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.644 0.259 . . . . 0.0 111.127 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.22 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.233 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.27 -42.13 75.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -65.94 -41.46 91.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -67.94 -39.96 83.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.754 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.85 -42.8 85.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.023 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.7 pp -73.3 -30.59 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.739 0.304 . . . . 0.0 110.542 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.49 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.488 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.21 -56.03 13.74 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.819 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.9 Cg_endo -71.74 -24.35 21.64 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.17 1.913 . . . . 0.0 112.451 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.3 t -69.72 -48.67 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 110.765 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.61 -38.02 71.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.78 98.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.509 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.82 -45.89 93.13 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.328 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.7 -36.55 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 110.84 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.9 tp -65.99 -35.07 79.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.066 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -59.32 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.762 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 t -60.83 -32.43 71.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.499 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 84.7 mtp -68.85 -44.49 73.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.635 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.9 -43.09 98.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.455 HG12 HD21 ' A' ' 32' ' ' ASN . 64.6 t -64.9 -45.71 93.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -58.8 -40.28 83.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.689 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -64.96 -47.41 77.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.539 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD23 ' HD3' ' A' ' 34' ' ' ARG . 25.2 mt -63.14 -28.48 70.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.073 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.455 HD21 HG12 ' A' ' 28' ' ' VAL . 92.8 m-20 -70.33 -22.39 62.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 35' ' ' LYS . 41.3 tttm -85.72 -47.98 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.333 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' HD3' HD23 ' A' ' 31' ' ' LEU . 12.2 ptm180 -75.8 24.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.432 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 33' ' ' LYS . 42.1 pttt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.72 134.39 40.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.421 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -63.67 -33.62 76.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.694 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.88 80.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.759 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.8 -34.64 78.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.9 tt -88.65 -13.2 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.439 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 -42.1 88.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -71.35 -50.67 29.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.609 0.242 . . . . 0.0 111.356 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.7 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.51 -47.54 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.217 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -39.73 83.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.71 -42.87 81.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.415 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.12 -30.47 63.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.673 0.273 . . . . 0.0 110.743 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.92 73.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.555 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.54 -55.27 17.32 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.5 Cg_endo -71.39 -25.59 21.4 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.128 1.885 . . . . 0.0 112.347 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.3 t -69.56 -47.95 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.87 -37.17 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.49 78.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.738 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.56 -45.37 77.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.195 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.17 -36.96 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.682 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 50.8 tp -65.38 -37.85 88.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.509 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -64.25 -39.27 93.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -61.69 -37.42 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 66.0 mtm -68.59 -37.1 79.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.21 -43.37 84.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.885 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.409 HG12 HD21 ' A' ' 32' ' ' ASN . 93.8 t -65.02 -41.75 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -59.67 -44.2 93.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -63.57 -46.13 87.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.834 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.616 HD23 ' HD3' ' A' ' 34' ' ' ARG . 22.5 mt -62.54 -32.01 72.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.409 HD21 HG12 ' A' ' 28' ' ' VAL . 95.3 m-20 -67.7 -17.41 64.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.746 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -87.3 -35.01 18.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.616 ' HD3' HD23 ' A' ' 31' ' ' LEU . 15.4 ptm180 -92.57 24.15 3.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.705 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.582 -0.723 . . . . 0.0 111.15 -179.835 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.5 tpp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.09 129.78 36.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.457 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.06 -34.64 78.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.75 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.68 -42.7 73.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.51 -32.07 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.2 tt -88.87 -13.37 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.279 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.85 -48.93 58.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.652 0.263 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.16 95.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.377 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.14 -47.11 65.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.271 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CE3' HD21 ' A' ' 14' ' ' LEU . 23.6 m95 -60.57 -41.18 94.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.646 0.26 . . . . 0.0 111.167 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -40.16 82.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.938 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -66.8 -42.78 85.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.382 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 pp -73.08 -30.44 63.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.54 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -34.59 75.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.447 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.501 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.19 -55.93 16.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 54.5 Cg_endo -71.18 -25.44 22.26 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.094 1.862 . . . . 0.0 112.495 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.6 t -68.73 -48.72 69.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.702 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -69.91 -43.45 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.82 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.853 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.65 97.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.114 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.5 mt -67.72 -39.28 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.848 0.356 . . . . 0.0 110.606 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.35 -34.91 78.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.483 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.68 98.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.548 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.1 t -59.94 -34.92 73.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.524 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 80.2 mtp -67.16 -43.59 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.55 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.04 -43.82 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.905 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.11 -42.04 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.92 -35.23 76.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.0 110.562 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -69.89 -48.78 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.004 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.545 HD23 ' HD3' ' A' ' 34' ' ' ARG . 15.7 mt -62.6 -33.38 74.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.322 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -68.59 -13.07 62.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.739 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -92.42 -43.68 9.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.545 ' HD3' HD23 ' A' ' 31' ' ' LEU . 14.3 ptm180 -82.25 24.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.183 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 tpp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.834 0.349 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.44 129.73 53.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.418 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.25 -36.29 83.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.07 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.71 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.93 -34.74 75.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 6' ' ' LEU . 3.2 tt -85.94 -13.65 47.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.482 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -54.84 15.13 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.515 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.0 mmt -64.32 -46.07 85.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.613 0.244 . . . . 0.0 111.363 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.18 90.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.528 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -69.41 -45.92 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -61.76 -39.75 92.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.673 0.273 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -40.28 82.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.18 -42.91 83.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.416 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.7 pp -72.93 -30.29 63.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 110.671 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -34.59 75.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.47 -55.94 14.64 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.887 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 55.8 Cg_endo -71.25 -25.14 22.38 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.139 1.892 . . . . 0.0 112.492 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.9 t -69.64 -46.65 74.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mt -70.48 -39.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.69 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.6 -45.81 65.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.6 -37.31 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.789 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.9 -37.79 88.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.994 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -62.13 -44.09 97.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.319 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.2 m -61.92 -37.92 86.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 71.4 mtm -65.72 -41.13 92.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.4 mt -66.88 -42.43 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 24' ' ' ALA . 77.9 t -67.21 -37.92 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.0 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -64.55 -38.91 92.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.646 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -70.03 -48.24 58.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.904 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.569 HD23 ' HD3' ' A' ' 34' ' ' ARG . 19.7 mt -60.74 -37.65 82.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -70.63 -14.45 62.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.5 179.628 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -90.66 -36.93 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.718 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.569 ' HD3' HD23 ' A' ' 31' ' ' LEU . 13.8 ptm180 -83.61 28.38 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.7 pttp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.156 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.859 0.361 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 142.0 32.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.517 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -63.83 -35.75 81.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.376 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.39 -42.27 75.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.97 -26.93 68.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.356 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.8 tt -95.79 -13.28 24.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.275 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.83 76.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.781 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 mmt -69.33 -45.1 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.648 0.261 . . . . 0.0 111.185 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.39 97.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.19 -44.26 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.301 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -64.01 -41.94 97.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.748 0.309 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -40.37 82.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.22 -42.59 88.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.291 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.57 -32.26 64.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.639 0.257 . . . . 0.0 111.206 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.0 73.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.759 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.06 -55.21 19.05 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.7 Cg_endo -72.27 -24.97 19.18 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.228 1.952 . . . . 0.0 112.578 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 14' ' ' LEU . 70.6 t -69.43 -48.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 110.754 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -70.03 -40.89 79.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.19 85.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.48 -43.72 98.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.754 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.98 -36.25 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.222 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.0 tp -65.23 -34.48 78.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.45 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -63.78 -42.07 97.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.0 p -65.09 -34.69 79.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 69.4 mtm -67.86 -40.93 83.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.717 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.72 -42.78 93.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 24' ' ' ALA . 94.2 t -64.58 -42.97 96.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.664 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -61.09 -34.27 74.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.555 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.419 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 9.6 t90 -69.82 -50.08 46.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.788 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 33.4 mt -63.84 -28.93 70.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.242 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.437 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -74.22 -15.47 61.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.994 -179.361 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -102.59 -20.88 14.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.707 0.289 . . . . 0.0 111.083 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 8.0 ptm180 -100.55 12.77 36.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.138 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.817 0.342 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.99 131.1 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.334 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -64.1 -34.0 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.93 74.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -66.21 -29.74 70.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.377 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.6 tt -91.04 -13.54 33.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.064 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.89 -49.04 57.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.734 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -69.5 -42.46 74.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.683 0.278 . . . . 0.0 111.163 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.23 87.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.17 -43.99 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 21.0 m95 -63.79 -42.26 97.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.723 0.297 . . . . 0.0 111.204 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -68.22 -40.44 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.917 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.29 -43.05 92.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.49 -30.45 63.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 0.0 110.598 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.76 73.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.636 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.31 -55.5 18.45 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -71.95 -25.95 19.18 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.153 1.902 . . . . 0.0 112.483 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.8 t -68.71 -46.71 79.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 110.625 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.1 mt -70.37 -41.74 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.5 81.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.61 -44.43 95.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.888 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.1 mt -67.63 -36.36 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.953 0.406 . . . . 0.0 110.432 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 54.3 tp -64.85 -36.39 84.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.59 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.93 92.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m -64.98 -39.29 93.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 67.9 mtm -66.66 -36.38 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.832 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.1 mt -67.98 -45.04 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.813 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.514 HG12 HD21 ' A' ' 32' ' ' ASN . 98.7 t -65.49 -46.72 89.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.002 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -57.56 -37.75 73.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -67.97 -47.0 69.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.544 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD23 ' HD3' ' A' ' 34' ' ' ARG . 13.6 mt -63.1 -29.85 71.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.514 HD21 HG12 ' A' ' 28' ' ' VAL . 90.2 m-20 -71.32 -15.72 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -88.95 -42.06 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' HD3' HD23 ' A' ' 31' ' ' LEU . 15.6 ptm180 -84.85 32.39 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.3 pttp . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.542 -0.742 . . . . 0.0 111.095 179.913 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 tpp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.987 0.422 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.76 121.75 36.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -61.85 -32.99 73.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.558 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.72 -42.73 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.56 -29.08 68.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.595 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.6 tt -93.2 -13.14 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.095 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 -46.4 62.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.867 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mmt -70.14 -44.26 69.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.603 0.24 . . . . 0.0 111.38 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.66 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 111.052 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.35 -46.11 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.287 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 20.1 m95 -62.95 -42.87 99.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.737 0.303 . . . . 0.0 111.219 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -40.15 82.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.014 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.98 -42.77 89.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.261 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.35 -30.51 63.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.768 0.318 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -34.96 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.631 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.35 -55.11 20.33 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.7 Cg_endo -72.4 -27.06 16.46 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.227 1.951 . . . . 0.0 112.509 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 14' ' ' LEU . 55.1 t -67.5 -48.62 76.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.6 mt -70.11 -37.1 71.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.08 82.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.0 -46.23 59.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.321 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.79 -36.52 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.546 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.03 -36.18 83.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.65 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.7 m -63.35 -33.19 74.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 82.4 mtp -69.44 -43.94 72.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.76 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.23 -41.55 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.746 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.504 HG12 HD21 ' A' ' 32' ' ' ASN . 98.9 t -66.28 -48.33 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.826 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.485 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -58.15 -37.24 74.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -69.82 -49.23 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD23 ' HD3' ' A' ' 34' ' ' ARG . 13.2 mt -62.81 -27.91 69.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.306 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.504 HD21 HG12 ' A' ' 28' ' ' VAL . 95.5 m-20 -71.96 -14.11 61.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.78 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -90.17 -48.83 6.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HD3' HD23 ' A' ' 31' ' ' LEU . 14.0 ptm180 -75.63 -43.08 49.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.976 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.128 179.742 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.71 134.41 51.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.446 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -64.07 -33.67 76.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.48 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.29 83.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.579 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -63.17 -36.91 85.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.411 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.6 tt -84.49 -13.51 51.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.207 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.21 62.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.906 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.71 -48.23 67.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 111.381 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.38 95.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.03 -45.63 69.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.327 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -62.76 -40.76 98.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.697 0.284 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -40.12 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.59 -42.49 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.417 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -72.99 -30.28 63.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 110.529 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.66 73.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.416 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.13 -55.88 16.34 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.803 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.61 -25.84 20.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.19 1.927 . . . . 0.0 112.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 14' ' ' LEU . 73.7 t -68.19 -48.3 74.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.055 0.455 . . . . 0.0 110.596 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mt -70.21 -38.23 73.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.62 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.02 -46.03 68.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.318 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.72 -38.54 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.609 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 60.9 tp -64.28 -38.11 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -62.26 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.938 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.6 m -60.47 -37.11 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 66.2 mtm -69.08 -38.0 78.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.86 -42.3 88.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 24' ' ' ALA . 97.3 t -66.57 -42.36 89.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.03 -39.27 81.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.903 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -69.71 -47.58 62.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.112 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD23 ' HD3' ' A' ' 34' ' ' ARG . 29.8 mt -63.27 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.342 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.47 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -69.46 -13.76 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.637 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -91.87 -39.37 11.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.487 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' HD3' HD23 ' A' ' 31' ' ' LEU . 11.7 ptm180 -90.86 21.31 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.188 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 ttp . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.36 122.54 48.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.237 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -63.9 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.749 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.66 -42.73 73.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.5 -33.72 75.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.5 tt -87.66 -13.46 42.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -49.0 53.92 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -66.98 -45.23 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.056 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.67 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.23 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -69.49 -45.52 68.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.37 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -63.21 -40.55 97.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -40.12 82.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.713 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.44 -42.98 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.38 -30.15 63.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.714 0.292 . . . . 0.0 110.735 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.01 73.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.532 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -46.95 -55.14 16.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.818 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.2 Cg_endo -71.47 -24.64 22.2 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.149 1.899 . . . . 0.0 112.367 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 14' ' ' LEU . 81.0 t -70.07 -48.12 64.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.5 mt -70.06 -42.64 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.961 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.46 77.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.034 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.56 84.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.384 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.6 mt -68.24 -42.48 84.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.349 . . . . 0.0 110.967 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.0 tp -63.82 -37.76 88.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -64.67 -38.91 92.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.9 m -63.72 -39.69 94.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.421 ' HB2' ' HE3' ' A' ' 26' ' ' MET . 65.9 mtm -67.57 -41.84 83.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.9 -42.01 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 24' ' ' ALA . 85.6 t -67.7 -40.94 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.82 -42.19 97.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -66.59 -49.86 64.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.286 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.523 HD23 ' HD3' ' A' ' 34' ' ' ARG . 23.1 mt -63.23 -40.27 96.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.466 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.8 -15.09 63.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.382 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -88.26 -34.75 17.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.433 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.523 ' HD3' HD23 ' A' ' 31' ' ' LEU . 12.7 ptm180 -93.75 -4.59 50.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.079 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.51 131.99 52.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.04 -33.59 76.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.34 -40.87 81.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.09 -39.37 86.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.9 tt -82.31 -13.25 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.61 75.65 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.653 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 mmt -72.8 -41.62 64.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.693 0.282 . . . . 0.0 111.016 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.2 90.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.776 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -69.39 -44.97 70.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.192 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.408 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 15.7 m95 -63.57 -43.05 98.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.73 0.3 . . . . 0.0 111.203 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.55 83.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.899 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -42.74 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.207 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.1 pp -73.39 -30.33 63.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.84 0.352 . . . . 0.0 110.603 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.54 -34.67 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.778 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.42 -54.88 22.15 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 57.7 Cg_endo -72.75 -26.69 15.71 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.165 1.91 . . . . 0.0 112.47 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 14' ' ' LEU . 62.6 t -68.97 -46.95 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.25 -42.65 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.84 -35.33 74.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.79 -45.07 90.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.114 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.14 -38.63 80.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.816 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 52.5 tp -64.12 -35.78 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.458 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -64.65 -37.09 86.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.833 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -65.97 -37.82 86.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.426 ' HE2' ' HA ' ' A' ' 23' ' ' LEU . 68.4 mtm -69.65 -41.76 75.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.84 -42.54 96.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.605 HG12 HD21 ' A' ' 32' ' ' ASN . 92.4 t -67.7 -49.64 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -58.47 -32.98 69.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.759 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 9.2 t90 -70.07 -50.26 42.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.774 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 22.6 mt -64.11 -28.12 69.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.66 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.605 HD21 HG12 ' A' ' 28' ' ' VAL . 94.8 m-20 -67.47 -30.78 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.997 -179.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -84.93 -18.85 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.559 0.219 . . . . 0.0 111.283 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 14.1 ptm180 -111.72 10.85 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.189 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.52 136.5 34.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.535 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.24 -34.34 77.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.698 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -65.16 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.256 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.7 tt -90.7 -13.3 34.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.997 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.42 -42.25 93.94 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -72.41 -44.34 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.641 0.258 . . . . 0.0 111.216 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.36 97.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.956 0.408 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -69.33 -46.29 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.413 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 21.1 m95 -62.59 -41.6 99.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -68.34 -40.39 81.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.33 -43.13 91.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.24 -30.06 63.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.796 0.331 . . . . 0.0 110.593 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -34.71 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.588 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.22 -55.5 15.6 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.8 Cg_endo -71.29 -25.03 22.37 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.074 1.85 . . . . 0.0 112.265 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 14' ' ' LEU . 85.2 t -70.19 -45.55 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 mt -70.37 -44.14 77.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.57 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.08 -45.11 93.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.27 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.8 mt -64.99 -39.36 85.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.956 0.407 . . . . 0.0 110.687 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.4 -36.61 82.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.632 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -63.04 -41.07 99.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.0 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -62.61 -36.5 82.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 70.7 mtm -68.77 -39.47 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.35 -42.89 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.736 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 24' ' ' ALA . 96.4 t -63.55 -44.59 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.568 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -59.68 -34.74 73.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.484 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.455 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 8.3 t90 -66.49 -48.4 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.427 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD23 ' HD3' ' A' ' 34' ' ' ARG . 24.4 mt -63.49 -27.96 69.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.354 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.7 -34.08 77.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.056 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -79.71 -21.26 44.82 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.665 0.269 . . . . 0.0 111.372 -179.452 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' HD3' HD23 ' A' ' 31' ' ' LEU . 8.3 ptm180 -105.65 -1.98 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.125 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.34 132.09 39.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.281 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.74 -33.62 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.63 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 -39.97 79.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.17 -36.68 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.522 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.3 tt -85.86 -12.99 49.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -51.96 32.25 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.892 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.04 -45.47 85.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.63 0.252 . . . . 0.0 111.312 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.2 94.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 111.365 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.32 -43.13 74.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.427 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.414 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 29.8 m95 -64.94 -42.79 94.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.708 0.29 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -40.16 82.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.75 -42.64 85.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.4 pp -73.07 -30.36 63.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.6 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.435 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.77 -55.89 15.48 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.836 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 56.0 Cg_endo -71.61 -25.12 21.19 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.119 1.88 . . . . 0.0 112.378 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 14' ' ' LEU . 77.2 t -68.87 -48.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.038 0.447 . . . . 0.0 110.728 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.2 mt -70.48 -37.81 71.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.59 85.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.4 -45.5 90.15 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.086 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.7 mt -68.25 -36.68 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.384 . . . . 0.0 110.748 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.23 -39.85 94.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.743 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -59.9 -43.89 94.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.6 t -62.02 -38.76 89.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.302 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 71.1 mtm -67.66 -42.17 82.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.201 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.63 -41.27 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 24' ' ' ALA . 92.7 t -67.74 -40.44 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.966 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -62.78 -38.11 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.521 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 8.5 t90 -69.38 -49.35 56.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 27.1 mt -63.95 -33.06 74.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.814 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.49 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -74.6 -28.74 61.04 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -90.09 -23.96 21.25 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.59 -179.346 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.597 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 11.6 ptm180 -86.5 19.44 2.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.1 pttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.069 -179.911 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.69 129.44 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.28 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -64.14 -33.67 76.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.462 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.39 -40.0 81.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.86 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.81 -37.59 76.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 6' ' ' LEU . 4.5 tt -83.9 -13.47 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.149 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.79 -43.28 67.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 mmt -71.53 -45.71 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.674 0.274 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.75 99.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.02 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -69.38 -44.42 71.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -64.56 -42.28 95.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 110.987 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -40.4 82.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.44 -42.72 87.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.601 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.2 pp -73.31 -30.58 63.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.758 0.313 . . . . 0.0 110.666 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 -34.72 73.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.563 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -47.38 -55.84 14.8 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 55.6 Cg_endo -71.57 -25.81 20.58 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.139 1.893 . . . . 0.0 112.499 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 14' ' ' LEU . 74.3 t -70.08 -47.55 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.338 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.12 -43.7 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.36 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -36.43 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.44 -44.86 92.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.201 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.0 mt -67.96 -36.31 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.641 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.37 -35.45 80.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.633 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.65 97.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.862 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.8 m -58.45 -34.94 71.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.435 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.97 -44.16 90.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.494 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.36 -46.5 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.861 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -40.57 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.66 -34.9 78.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -69.82 -49.74 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.013 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.98 -28.78 70.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.406 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -67.14 -23.45 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.964 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 39.3 tttm -80.19 -46.99 15.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -84.58 61.23 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.316 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.528 ' H ' ' HD3' ' A' ' 35' ' ' LYS . 3.1 mppt? . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.97 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 tpp . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.95 139.39 36.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.59 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -62.59 -34.13 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.005 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.283 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.07 -42.01 81.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.31 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 6' ' ' LEU . 5.2 tt -79.46 -13.34 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.094 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.35 -49.03 54.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.746 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.09 -45.96 75.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.608 0.242 . . . . 0.0 111.348 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.22 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 111.38 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.25 -44.68 71.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CE3' HD21 ' A' ' 14' ' ' LEU . 27.0 m95 -63.62 -42.74 98.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -68.1 -40.06 82.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -43.1 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 18' ' ' VAL . 2.0 pp -73.51 -30.42 63.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.362 . . . . 0.0 110.724 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.73 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.643 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . . . -48.71 -55.29 20.51 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 58.4 Cg_endo -72.53 -26.71 16.42 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.224 1.949 . . . . 0.0 112.576 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 14' ' ' LEU . 56.1 t -68.39 -47.56 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.979 0.418 . . . . 0.0 110.94 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.2 mt -70.27 -47.84 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.192 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.64 76.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.22 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.7 -45.4 89.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.394 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.85 -38.85 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.746 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.99 -38.34 88.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 28' ' ' VAL . . . -59.63 -42.77 93.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 m -65.59 -37.63 87.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.217 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 73.2 mtm -67.1 -41.5 86.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.56 -42.57 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 24' ' ' ALA . 99.4 t -67.59 -40.28 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -58.7 -46.37 87.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.935 0.398 . . . . 0.0 110.668 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -63.55 -44.5 93.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.777 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 44.4 mt -63.29 -31.53 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.434 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -70.59 -15.08 62.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.439 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -90.76 -37.51 13.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.387 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 11.0 ptm180 -93.37 -5.5 49.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.871 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 12.8 mptt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 stop_ save_